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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 224 results
1

3-Nitrophthalonitrile, 99%

CAS: 51762-67-5 Molecular Formula: C8H3N3O2 Molecular Weight (g/mol): 173.13 MDL Number: MFCD00191558 InChI Key: UZJZIZFCQFZDHP-UHFFFAOYSA-N Synonym: 3-nitrophthalonitrile,2,3-dicyanonitrobenzene,1,2-benzenedicarbonitrile, 3-nitro,3-nitrophthalodinitrile,1,2-dicyano-3-nitrobenzene,3-nitro-1,2-benzenedicarbonitrile,nitrophthalonitrile,3-nitro-phthalonitrile,3-nitrophthalonitrile?,acmc-209kvo PubChem CID: 162652 IUPAC Name: 3-nitrobenzene-1,2-dicarbonitrile SMILES: [O-][N+](=O)C1=CC=CC(C#N)=C1C#N

PubChem CID 162652
CAS 51762-67-5
Molecular Weight (g/mol) 173.13
MDL Number MFCD00191558
SMILES [O-][N+](=O)C1=CC=CC(C#N)=C1C#N
Synonym 3-nitrophthalonitrile,2,3-dicyanonitrobenzene,1,2-benzenedicarbonitrile, 3-nitro,3-nitrophthalodinitrile,1,2-dicyano-3-nitrobenzene,3-nitro-1,2-benzenedicarbonitrile,nitrophthalonitrile,3-nitro-phthalonitrile,3-nitrophthalonitrile?,acmc-209kvo
IUPAC Name 3-nitrobenzene-1,2-dicarbonitrile
InChI Key UZJZIZFCQFZDHP-UHFFFAOYSA-N
Molecular Formula C8H3N3O2
2

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
3

1,5-Dichloro-2,4-dinitrobenzene, 97%

CAS: 3698-83-7 Molecular Formula: C6H2Cl2N2O4 Molecular Weight (g/mol): 236.992 MDL Number: MFCD00024186 InChI Key: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N Synonym: 1,3-dichloro-4,6-dinitrobenzene,benzene, 1,5-dichloro-2,4-dinitro,2,4-dichloro-1,5-dinitrobenzene,4,6-dichloro-1,3-dinitrobenzene,unii-6enc7c8zr0,6enc7c8zr0,1,5-dichloro-2,4-dinitro-benzene,1,3,-dichloro-4,6-dinitrobenzene,1,5-dichlor-2,4-dinitrobenzol,2,5-dinitrobenzene PubChem CID: 77286 IUPAC Name: 1,5-dichloro-2,4-dinitrobenzene SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]

PubChem CID 77286
CAS 3698-83-7
Molecular Weight (g/mol) 236.992
MDL Number MFCD00024186
SMILES C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]
Synonym 1,3-dichloro-4,6-dinitrobenzene,benzene, 1,5-dichloro-2,4-dinitro,2,4-dichloro-1,5-dinitrobenzene,4,6-dichloro-1,3-dinitrobenzene,unii-6enc7c8zr0,6enc7c8zr0,1,5-dichloro-2,4-dinitro-benzene,1,3,-dichloro-4,6-dinitrobenzene,1,5-dichlor-2,4-dinitrobenzol,2,5-dinitrobenzene
IUPAC Name 1,5-dichloro-2,4-dinitrobenzene
InChI Key ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
Molecular Formula C6H2Cl2N2O4
4

2-Nitrobenzonitrile, 98%, Thermo Scientific Chemicals

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
5

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
6

2-Nitrobenzenesulfenyl chloride, 98%

CAS: 7669-54-7 Molecular Formula: C6H4ClNO2S Molecular Weight (g/mol): 189.62 MDL Number: MFCD00007128 InChI Key: NTNKNFHIAFDCSJ-UHFFFAOYSA-N Synonym: 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane PubChem CID: 24319 IUPAC Name: (2-nitrophenyl) thiohypochlorite SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCl

PubChem CID 24319
CAS 7669-54-7
Molecular Weight (g/mol) 189.62
MDL Number MFCD00007128
SMILES C1=CC=C(C(=C1)[N+](=O)[O-])SCl
Synonym 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane
IUPAC Name (2-nitrophenyl) thiohypochlorite
InChI Key NTNKNFHIAFDCSJ-UHFFFAOYSA-N
Molecular Formula C6H4ClNO2S
7

6-Nitrophthalide, 97%

CAS: 610-93-5 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00033529 InChI Key: RNWGZXAHUPFXLL-UHFFFAOYSA-N Synonym: 6-nitrophthalide,6-nitroisobenzofuran-1 3h-one,6-nitro-3h-isobenzofuran-1-one,6-nitro-1,3-dihydroisobenzofuran-1-one,6-nitro-1 3h-isobenzofuranone,6-nitro-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 6-nitro,6-nitro-3-hydroisobenzofuran-1-one,6-nitro-1,3-dihydro-2-benzofuran-1-one,6-nitrophtalide PubChem CID: 223584 IUPAC Name: 6-nitro-3H-2-benzofuran-1-one SMILES: [O-][N+](=O)C1=CC=C2COC(=O)C2=C1

PubChem CID 223584
CAS 610-93-5
Molecular Weight (g/mol) 179.13
MDL Number MFCD00033529
SMILES [O-][N+](=O)C1=CC=C2COC(=O)C2=C1
Synonym 6-nitrophthalide,6-nitroisobenzofuran-1 3h-one,6-nitro-3h-isobenzofuran-1-one,6-nitro-1,3-dihydroisobenzofuran-1-one,6-nitro-1 3h-isobenzofuranone,6-nitro-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 6-nitro,6-nitro-3-hydroisobenzofuran-1-one,6-nitro-1,3-dihydro-2-benzofuran-1-one,6-nitrophtalide
IUPAC Name 6-nitro-3H-2-benzofuran-1-one
InChI Key RNWGZXAHUPFXLL-UHFFFAOYSA-N
Molecular Formula C8H5NO4
8

2-Chloro-5-nitrobenzonitrile, 99%

CAS: 16588-02-6 Molecular Formula: C7H3ClN2O2 Molecular Weight (g/mol): 182.563 MDL Number: MFCD00007292 InChI Key: ZGILLTVEEBNDOB-UHFFFAOYSA-N Synonym: benzonitrile, 2-chloro-5-nitro,2-chlor-5-nitrobenzonitril german,5-nitro-2-chlorobenzonitrile,chembl52706,2-chloro-5-nitro-benzonitrile,2-chloro-5-nitrobenzenecarbonitrile,4-chloro-3-cyano-1-nitrobenzene,2-chlor-5-nitrobenzonitril,pubchem4740,2-chloro-5-nitrobenzonitril PubChem CID: 85504 IUPAC Name: 2-chloro-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl

PubChem CID 85504
CAS 16588-02-6
Molecular Weight (g/mol) 182.563
MDL Number MFCD00007292
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl
Synonym benzonitrile, 2-chloro-5-nitro,2-chlor-5-nitrobenzonitril german,5-nitro-2-chlorobenzonitrile,chembl52706,2-chloro-5-nitro-benzonitrile,2-chloro-5-nitrobenzenecarbonitrile,4-chloro-3-cyano-1-nitrobenzene,2-chlor-5-nitrobenzonitril,pubchem4740,2-chloro-5-nitrobenzonitril
IUPAC Name 2-chloro-5-nitrobenzonitrile
InChI Key ZGILLTVEEBNDOB-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2
9

3,4-Difluoronitrobenzene, 99%

CAS: 369-34-6 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.09 MDL Number: MFCD00007198 InChI Key: RUBQQRMAWLSCCJ-UHFFFAOYSA-N Synonym: 3,4-difluoronitrobenzene,benzene, 1,2-difluoro-4-nitro,1-nitro-3,4-difluorobenzene,1,2-difluoro-4-nitro-benzene,3,4-difluoro nitrobenzene,pubchem2290,3,4-difluornitrobenzene,3.4-difluoronitrobenzene,3, 4-difluoronitrobenzene,3,4-difluoro-nitrobenzene PubChem CID: 123053 IUPAC Name: 1,2-difluoro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)F

PubChem CID 123053
CAS 369-34-6
Molecular Weight (g/mol) 159.09
MDL Number MFCD00007198
SMILES C1=CC(=C(C=C1[N+](=O)[O-])F)F
Synonym 3,4-difluoronitrobenzene,benzene, 1,2-difluoro-4-nitro,1-nitro-3,4-difluorobenzene,1,2-difluoro-4-nitro-benzene,3,4-difluoro nitrobenzene,pubchem2290,3,4-difluornitrobenzene,3.4-difluoronitrobenzene,3, 4-difluoronitrobenzene,3,4-difluoro-nitrobenzene
IUPAC Name 1,2-difluoro-4-nitrobenzene
InChI Key RUBQQRMAWLSCCJ-UHFFFAOYSA-N
Molecular Formula C6H3F2NO2
10

1-Chloro-3,4-dinitrobenzene, tech. 90%

CAS: 610-40-2 Molecular Formula: C6H3ClN2O4 Molecular Weight (g/mol): 202.55 MDL Number: MFCD00007212 InChI Key: QVQSOXMXXFZAKU-UHFFFAOYSA-N Synonym: 1-chloro-3,4-dinitrobenzene,3,4-dinitrochlorobenzene,benzene, 4-chloro-1,2-dinitro,unii-z29b1f274e,1,2-dinitro-4-chlorobenzene,1,2-dino2 4-cl benzene,4-chlordinitrobenzol,acmc-209mog,4-chloro-1,2-dinitrobenzen,ghl.pd_mitscher_leg0.928 PubChem CID: 33097 IUPAC Name: 4-chloro-1,2-dinitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-]

PubChem CID 33097
CAS 610-40-2
Molecular Weight (g/mol) 202.55
MDL Number MFCD00007212
SMILES C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-]
Synonym 1-chloro-3,4-dinitrobenzene,3,4-dinitrochlorobenzene,benzene, 4-chloro-1,2-dinitro,unii-z29b1f274e,1,2-dinitro-4-chlorobenzene,1,2-dino2 4-cl benzene,4-chlordinitrobenzol,acmc-209mog,4-chloro-1,2-dinitrobenzen,ghl.pd_mitscher_leg0.928
IUPAC Name 4-chloro-1,2-dinitrobenzene
InChI Key QVQSOXMXXFZAKU-UHFFFAOYSA-N
Molecular Formula C6H3ClN2O4
11

Ethyl 6-nitroindole-2-carboxylate, 97%, Thermo Scientific Chemicals

CAS: 16792-45-3 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.21 MDL Number: MFCD04973967 InChI Key: SOMZLSPJSSDTAP-UHFFFAOYSA-N Synonym: ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester PubChem CID: 616444 IUPAC Name: ethyl 6-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O

PubChem CID 616444
CAS 16792-45-3
Molecular Weight (g/mol) 234.21
MDL Number MFCD04973967
SMILES CCOC(=O)C1=CC2=CC=C(C=C2N1)[N+]([O-])=O
Synonym ethyl 6-nitroindole-2-carboxylate,6-nitro-1h-indole-2-carboxylic acid ethyl ester,6-nitro-2-carbethoxyindole,6-nitro-2-carboethoxyindole,ethyl 6-nitroindol-2-carboxylate,1h-indole-2-carboxylicacid, 6-nitro-, ethyl ester,1h-indole-2-carboxylic acid, 6-nitro-, ethyl ester
IUPAC Name ethyl 6-nitro-1H-indole-2-carboxylate
InChI Key SOMZLSPJSSDTAP-UHFFFAOYSA-N
Molecular Formula C11H10N2O4
12

7-Methyl-8-nitroquinoline, 98+%

CAS: 7471-63-8 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD00041234 InChI Key: ZZDTVYJYMRSNQL-UHFFFAOYSA-N Synonym: quinoline, 7-methyl-8-nitro,8-nitro-7-methylquinoline,7-methyl-8-nitro-quinoline,acmc-1bcox,7-methyl 8-nitroquinoline PubChem CID: 81981 IUPAC Name: 7-methyl-8-nitroquinoline SMILES: CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-]

PubChem CID 81981
CAS 7471-63-8
Molecular Weight (g/mol) 188.186
MDL Number MFCD00041234
SMILES CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-]
Synonym quinoline, 7-methyl-8-nitro,8-nitro-7-methylquinoline,7-methyl-8-nitro-quinoline,acmc-1bcox,7-methyl 8-nitroquinoline
IUPAC Name 7-methyl-8-nitroquinoline
InChI Key ZZDTVYJYMRSNQL-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
13

5-Nitroindole, 99%

CAS: 6146-52-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 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) 162.148
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
14

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
15

7-Nitroindole-2-carboxylic acid, 96%

CAS: 6960-45-8 Molecular Formula: C9H6N2O4 Molecular Weight (g/mol): 206.157 MDL Number: MFCD00044720 InChI Key: BIUCOFQROHIAEO-UHFFFAOYSA-N Synonym: 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro PubChem CID: 81409 SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O

PubChem CID 81409
CAS 6960-45-8
Molecular Weight (g/mol) 206.157
MDL Number MFCD00044720
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
Synonym 7-nitro-1h-indole-2-carboxylic acid,7-nitroindole-2-carboxylic acid,1h-indole-2-carboxylic acid, 7-nitro,7-nitroindole-2-carboxylicacid,dna base excision repair pathway inhibitor,maybridge1_004786,indole-2-carboxylic acid, 7-nitro,pubchem9857,acmc-1b8pb,1h-indole-2-carboxylicacid, 7-nitro
InChI Key BIUCOFQROHIAEO-UHFFFAOYSA-N
Molecular Formula C9H6N2O4