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Organic oxoazanium compounds

Organic compounds that contain or are associated with an oxoazanium ion; oxoazanium ions have an oxygen atom bonded to a nitrogen atom via a double bond, and the nitrogen atom is bonded to two hydrogen atoms.

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1 – 15 of 27 results
1

6-Nitroindole, 97%

CAS: 4769-96-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00051497 InChI Key: PSWCIARYGITEOY-UHFFFAOYSA-N Synonym: 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p PubChem CID: 78502 IUPAC Name: 6-nitro-1H-indole SMILES: [O-][N+](=O)C1=CC=C2C=CNC2=C1

PubChem CID 78502
CAS 4769-96-4
Molecular Weight (g/mol) 162.15
MDL Number MFCD00051497
SMILES [O-][N+](=O)C1=CC=C2C=CNC2=C1
Synonym 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p
IUPAC Name 6-nitro-1H-indole
InChI Key PSWCIARYGITEOY-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
2

1,2,3-Trifluoro-5-nitrobenzene, 99%

CAS: 66684-58-0 Molecular Formula: C6H2F3NO2 Molecular Weight (g/mol): 177.08 MDL Number: MFCD00456803 InChI Key: PTTUMBGORBMNBN-UHFFFAOYSA-N Synonym: 3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene PubChem CID: 2782793 IUPAC Name: 1,2,3-trifluoro-5-nitrobenzene SMILES: [O-][N+](=O)C1=CC(F)=C(F)C(F)=C1

PubChem CID 2782793
CAS 66684-58-0
Molecular Weight (g/mol) 177.08
MDL Number MFCD00456803
SMILES [O-][N+](=O)C1=CC(F)=C(F)C(F)=C1
Synonym 3,4,5-trifluoronitrobenzene,1-nitro-3,4,5-trifluorobenzene,3,4,5-trifluoro-nitrobenzene,1,2,3-trifluoro-5-nitro-benzene,benzene, 1,2,3-trifluoro-5-nitro,pubchem1071,acmc-1baej,3,4,5-trifluronitrobenzene,ksc495s3n,3,4,5-trifluoronitro benzene
IUPAC Name 1,2,3-trifluoro-5-nitrobenzene
InChI Key PTTUMBGORBMNBN-UHFFFAOYSA-N
Molecular Formula C6H2F3NO2
3

2-Chloro-4-nitrobenzonitrile, 97%, Thermo Scientific™

CAS: 28163-00-0 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.56 MDL Number: MFCD00052203 InChI Key: ZIGQFRQZYVQQDR-UHFFFAOYSA-N Synonym: 2-chloro-4-nitro-benzonitrile,benzonitrile, 2-chloro-4-nitro,2-chloro-4-nitrobenzenecarbonitrile,pubchem18759,acmc-1ceg9,2-chloro-4-nitrobenzonitril,chloronitrobenzenecarbonitrile,3-chloro-4-cyanonitrobenzene,ksc497k1r PubChem CID: 141401 IUPAC Name: 2-chloro-4-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=C(C#N)C(Cl)=C1

PubChem CID 141401
CAS 28163-00-0
Molecular Weight (g/mol) 182.56
MDL Number MFCD00052203
SMILES [O-][N+](=O)C1=CC=C(C#N)C(Cl)=C1
Synonym 2-chloro-4-nitro-benzonitrile,benzonitrile, 2-chloro-4-nitro,2-chloro-4-nitrobenzenecarbonitrile,pubchem18759,acmc-1ceg9,2-chloro-4-nitrobenzonitril,chloronitrobenzenecarbonitrile,3-chloro-4-cyanonitrobenzene,ksc497k1r
IUPAC Name 2-chloro-4-nitrobenzonitrile
InChI Key ZIGQFRQZYVQQDR-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
4

7-Nitroindole, 97%

CAS: 6960-42-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00005683 InChI Key: LZJGQIVWUKFTRD-UHFFFAOYSA-N Synonym: 7-nitroindole,1h-indole, 7-nitro,indole, 7-nitro,7-nitro indole,pubchem7441,acmc-1b2jq,5-20-07-00044 beilstein handbook reference,ksc353k7l,1h-indole, 7-nitro-9ci PubChem CID: 23396 IUPAC Name: 7-nitro-1H-indole SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2

PubChem CID 23396
CAS 6960-42-5
Molecular Weight (g/mol) 162.148
MDL Number MFCD00005683
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2
Synonym 7-nitroindole,1h-indole, 7-nitro,indole, 7-nitro,7-nitro indole,pubchem7441,acmc-1b2jq,5-20-07-00044 beilstein handbook reference,ksc353k7l,1h-indole, 7-nitro-9ci
IUPAC Name 7-nitro-1H-indole
InChI Key LZJGQIVWUKFTRD-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
5

6-Nitrochromone, 97%

CAS: 51484-05-0 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD02954226 InChI Key: ORWADBVBOPTYQT-UHFFFAOYSA-N Synonym: 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro PubChem CID: 847716 IUPAC Name: 6-nitrochromen-4-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2

PubChem CID 847716
CAS 51484-05-0
Molecular Weight (g/mol) 191.142
MDL Number MFCD02954226
SMILES C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CO2
Synonym 6-nitrochromone,6-nitro-4h-chromen-4-one,6-nitrobenzopyran-4-one,acmc-20alxw,6-nitro-4-oxo-4h-1-benzopyran,6-nitro-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-nitro
IUPAC Name 6-nitrochromen-4-one
InChI Key ORWADBVBOPTYQT-UHFFFAOYSA-N
Molecular Formula C9H5NO4
6

5-Nitroindole, 99%

CAS: 6146-52-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005673 InChI Key: OZFPSOBLQZPIAV-UHFFFAOYSA-N Synonym: 5-nitroindole,1h-indole, 5-nitro,indole, 5-nitro,unii-o2bhx6edbn,5-nitro indole,ccris 3255,o2bhx6edbn,pubchem1711,acmc-209msr PubChem CID: 22523 IUPAC Name: 5-nitro-1H-indole SMILES: C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]

PubChem CID 22523
CAS 6146-52-7
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005673
SMILES C1=CC2=C(C=CN2)C=C1[N+](=O)[O-]
Synonym 5-nitroindole,1h-indole, 5-nitro,indole, 5-nitro,unii-o2bhx6edbn,5-nitro indole,ccris 3255,o2bhx6edbn,pubchem1711,acmc-209msr
IUPAC Name 5-nitro-1H-indole
InChI Key OZFPSOBLQZPIAV-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
7

4-Nitrophenylacetic acid, 98%

CAS: 104-03-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007383 InChI Key: YBADLXQNJCMBKR-UHFFFAOYSA-N Synonym: 4-nitrophenylacetic acid,2-4-nitrophenyl acetic acid,p-nitrophenylacetic acid,4-nitrophenyl acetic acid,4-nitrobenzeneacetic acid,benzeneacetic acid, 4-nitro,2-p-nitrophenyl acetic acid,4-nitrophenylacetate,4-nitrophenylaceticacid,acetic acid, p-nitrophenyl PubChem CID: 4661 ChEBI: CHEBI:40443 SMILES: C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]

PubChem CID 4661
CAS 104-03-0
Molecular Weight (g/mol) 181.147
ChEBI CHEBI:40443
MDL Number MFCD00007383
SMILES C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]
Synonym 4-nitrophenylacetic acid,2-4-nitrophenyl acetic acid,p-nitrophenylacetic acid,4-nitrophenyl acetic acid,4-nitrobenzeneacetic acid,benzeneacetic acid, 4-nitro,2-p-nitrophenyl acetic acid,4-nitrophenylacetate,4-nitrophenylaceticacid,acetic acid, p-nitrophenyl
InChI Key YBADLXQNJCMBKR-UHFFFAOYSA-N
Molecular Formula C8H7NO4
8

4-Chloro-3-nitrobenzonitrile, 98%

CAS: 939-80-0 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00016987 InChI Key: XBLPHYSLHRGMNW-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile PubChem CID: 13655 IUPAC Name: 4-chloro-3-nitrobenzonitrile SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

PubChem CID 13655
CAS 939-80-0
Molecular Weight (g/mol) 182.563
MDL Number MFCD00016987
SMILES C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
Synonym 3-nitro-4-chlorobenzonitrile,4-chloro-3-nitro-benzonitrile,benzonitrile, 4-chloro-3-nitro,4-chlor-3-nitrobenzonitril,2-chloro-5-cyanonitrobenzene,4-chlor-3-nitrobenzonitril czech,4-chloro-3-nitro-benzonitril,chembl54162,4-09-00-01227 beilstein handbook reference,4-chloro-3-nitrobenzenecarbonitrile
IUPAC Name 4-chloro-3-nitrobenzonitrile
InChI Key XBLPHYSLHRGMNW-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
9

2-Nitrobenzonitrile, 98+%

CAS: 612-24-8 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00007044 InChI Key: SWBDKCMOLSUXRH-UHFFFAOYSA-N Synonym: o-nitrobenzonitrile,o-cyanonitrobenzene,benzonitrile, o-nitro,benzonitrile, 2-nitro,2-cyanonitrobenzene,nitrobenzonitrile,unii-drc6u29fci,ccris 2326,1-nitro-2-cyanobenzene,2-nitrobenzenecarbonitrile PubChem CID: 11922 IUPAC Name: 2-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=CC=C1C#N

PubChem CID 11922
CAS 612-24-8
Molecular Weight (g/mol) 148.12
MDL Number MFCD00007044
SMILES [O-][N+](=O)C1=CC=CC=C1C#N
Synonym o-nitrobenzonitrile,o-cyanonitrobenzene,benzonitrile, o-nitro,benzonitrile, 2-nitro,2-cyanonitrobenzene,nitrobenzonitrile,unii-drc6u29fci,ccris 2326,1-nitro-2-cyanobenzene,2-nitrobenzenecarbonitrile
IUPAC Name 2-nitrobenzonitrile
InChI Key SWBDKCMOLSUXRH-UHFFFAOYSA-N
Molecular Formula C7H4N2O2
10

1-Fluoro-2-nitrobenzene, 99%

CAS: 1493-27-2 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.101 MDL Number: MFCD00007048 InChI Key: PWKNBLFSJAVFAB-UHFFFAOYSA-N Synonym: 2-fluoronitrobenzene,o-fluoronitrobenzene,o-nitrofluorobenzene,2-nitrofluorobenzene,benzene, 1-fluoro-2-nitro,benzene, o-nitrofluoro,2-fluoro-1-nitrobenzene,fluoronitrobenzene,1-fluoro-2-nitro-benzene,benzene, fluoronitro PubChem CID: 73895 IUPAC Name: 1-fluoro-2-nitrobenzene SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])F

PubChem CID 73895
CAS 1493-27-2
Molecular Weight (g/mol) 141.101
MDL Number MFCD00007048
SMILES C1=CC=C(C(=C1)[N+](=O)[O-])F
Synonym 2-fluoronitrobenzene,o-fluoronitrobenzene,o-nitrofluorobenzene,2-nitrofluorobenzene,benzene, 1-fluoro-2-nitro,benzene, o-nitrofluoro,2-fluoro-1-nitrobenzene,fluoronitrobenzene,1-fluoro-2-nitro-benzene,benzene, fluoronitro
IUPAC Name 1-fluoro-2-nitrobenzene
InChI Key PWKNBLFSJAVFAB-UHFFFAOYSA-N
Molecular Formula C6H4FNO2
11

4-Nitrobenzonitrile, 97%

CAS: 619-72-7 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00007279 InChI Key: NKJIFDNZPGLLSH-UHFFFAOYSA-N Synonym: benzonitrile, 4-nitro,4-cyanonitrobenzene,p-nitrobenzonitrile,p-cyanonitrobenzene,benzonitrile, p-nitro,4-nitrobenzenecarbonitrile,1-nitro-4-cyanobenzene,4-nitro-benzonitrile,ccris 2328,4-nitrobenzonitril PubChem CID: 12090 IUPAC Name: 4-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=C(C=C1)C#N

PubChem CID 12090
CAS 619-72-7
Molecular Weight (g/mol) 148.12
MDL Number MFCD00007279
SMILES [O-][N+](=O)C1=CC=C(C=C1)C#N
Synonym benzonitrile, 4-nitro,4-cyanonitrobenzene,p-nitrobenzonitrile,p-cyanonitrobenzene,benzonitrile, p-nitro,4-nitrobenzenecarbonitrile,1-nitro-4-cyanobenzene,4-nitro-benzonitrile,ccris 2328,4-nitrobenzonitril
IUPAC Name 4-nitrobenzonitrile
InChI Key NKJIFDNZPGLLSH-UHFFFAOYSA-N
Molecular Formula C7H4N2O2
12

2-Nitrophenylacetic acid, 99%

CAS: 3740-52-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007190 InChI Key: WMUZDBZPDLHUMW-UHFFFAOYSA-N Synonym: 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38 PubChem CID: 77337 IUPAC Name: 2-(2-nitrophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC=C1[N+]([O-])=O

PubChem CID 77337
CAS 3740-52-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007190
SMILES OC(=O)CC1=CC=CC=C1[N+]([O-])=O
Synonym 2-nitrophenylacetic acid,2-2-nitrophenyl acetic acid,2-nitrophenyl acetic acid,o-nitrophenylacetic acid,benzeneacetic acid, 2-nitro,acetic acid, o-nitrophenyl,ortho-nitrophenyl acetic acid,2-o-nitrophenyl acetic acid,2-nitrobenzeneacetic acid,unii-05tn0suy38
IUPAC Name 2-(2-nitrophenyl)acetic acid
InChI Key WMUZDBZPDLHUMW-UHFFFAOYSA-N
Molecular Formula C8H7NO4
13

1,3-Difluoro-2-nitrobenzene, 98%

CAS: 19064-24-5 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.092 MDL Number: MFCD00192035 InChI Key: SSNCMIDZGFCTST-UHFFFAOYSA-N Synonym: 2,6-difluoronitrobenzene,1,3-difluoro-2-nitro-benzene,benzene, 1,3-difluoro-2-nitro,2,6-difluoro nitrobenzene,pubchem4403,1,3-difluoronitrobenzene,acmc-1buv1,2,6-difluoro-nitrobenzene,2,6-difluoro nitro benzene,1,3-difluoro-2-nitrobenzen PubChem CID: 87922 IUPAC Name: 1,3-difluoro-2-nitrobenzene SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])F

PubChem CID 87922
CAS 19064-24-5
Molecular Weight (g/mol) 159.092
MDL Number MFCD00192035
SMILES C1=CC(=C(C(=C1)F)[N+](=O)[O-])F
Synonym 2,6-difluoronitrobenzene,1,3-difluoro-2-nitro-benzene,benzene, 1,3-difluoro-2-nitro,2,6-difluoro nitrobenzene,pubchem4403,1,3-difluoronitrobenzene,acmc-1buv1,2,6-difluoro-nitrobenzene,2,6-difluoro nitro benzene,1,3-difluoro-2-nitrobenzen
IUPAC Name 1,3-difluoro-2-nitrobenzene
InChI Key SSNCMIDZGFCTST-UHFFFAOYSA-N
Molecular Formula C6H3F2NO2
14

1-Fluoro-3-nitrobenzene, 98+%

CAS: 402-67-5 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.10 MDL Number: MFCD00007196 InChI Key: WMASLRCNNKMRFP-UHFFFAOYSA-N Synonym: 3-fluoronitrobenzene,m-fluoronitrobenzene,m-nitrofluorobenzene,benzene, 1-fluoro-3-nitro,3-fluoro-1-nitrobenzene,1-fluoro-3-nitro-benzene,3-fluoro-nitrobenzene,3-nitro-fluorobenzene,pubchem2286,3-fluoro nitro benzene PubChem CID: 9823 IUPAC Name: 1-fluoro-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(F)=C1

PubChem CID 9823
CAS 402-67-5
Molecular Weight (g/mol) 141.10
MDL Number MFCD00007196
SMILES [O-][N+](=O)C1=CC=CC(F)=C1
Synonym 3-fluoronitrobenzene,m-fluoronitrobenzene,m-nitrofluorobenzene,benzene, 1-fluoro-3-nitro,3-fluoro-1-nitrobenzene,1-fluoro-3-nitro-benzene,3-fluoro-nitrobenzene,3-nitro-fluorobenzene,pubchem2286,3-fluoro nitro benzene
IUPAC Name 1-fluoro-3-nitrobenzene
InChI Key WMASLRCNNKMRFP-UHFFFAOYSA-N
Molecular Formula C6H4FNO2
15

2,6-Dinitrotoluene, 97%

CAS: 606-20-2 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00007158 InChI Key: XTRDKALNCIHHNI-UHFFFAOYSA-N Synonym: 2,6-dinitrotoluene,2,6-dnt,benzene, 2-methyl-1,3-dinitro,1-methyl-2,6-dinitrobenzene,2,6-dinitromethylbenzene,toluene, 2,6-dinitro,rcra waste number u106,2-methyl-1,3-dinitro-benzene,unii-gg7fav92mk,ccris 1006 PubChem CID: 11813 ChEBI: CHEBI:957 IUPAC Name: 2-methyl-1,3-dinitrobenzene SMILES: CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]

PubChem CID 11813
CAS 606-20-2
Molecular Weight (g/mol) 182.135
ChEBI CHEBI:957
MDL Number MFCD00007158
SMILES CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
Synonym 2,6-dinitrotoluene,2,6-dnt,benzene, 2-methyl-1,3-dinitro,1-methyl-2,6-dinitrobenzene,2,6-dinitromethylbenzene,toluene, 2,6-dinitro,rcra waste number u106,2-methyl-1,3-dinitro-benzene,unii-gg7fav92mk,ccris 1006
IUPAC Name 2-methyl-1,3-dinitrobenzene
InChI Key XTRDKALNCIHHNI-UHFFFAOYSA-N
Molecular Formula C7H6N2O4