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Reference substances

Reference substances

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General information

Inventory

EC number:
235-462-4
EC name:
2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
CAS number:
12236-62-3

No inventory information available

Reference substance information

IUPAC name:
2-[(E)-2-(4-chloro-2-nitrophenyl)diazen-1-yl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)butanamide
Synonyms
Names:
2-((4-Chloro-2-nitrophenyl)azo)-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
Acetoacetamide, 2-((4-chloro-2-nitrophenyl)azo)-N-(2-oxo-5-benzimidazolinyl)-
Butanamide, 2-[(4-chloro-2-nitrophenyl) azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl) -3-oxo-
Butanamide, 2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-
C.I. Pigment Orange 36
Pigment Orange 36
Identifier:
CAS number
12236-62-3
Identifier:
IUPAC name
2-[(4-chloro-2-nitrophenyl) diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl) butanamide
Identifier:
IUPAC name
2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
Identifier:
IUPAC name
2-[(E)-2-(4-chloro-2-nitrophenyl)diazen-1-yl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)butanamide
Identifier:
other: InChl
InChI=1S/C17H13ClN6O5/c1-8(25)15(23-22-12-4-2-9(18)6-14(12)24(28)29)16(26)19-10-3-5-11-13(7-10)21-17(27)20-11/h2-7,15H,1H3,(H,19,26)(H2,20,21,27)/b23-22+
Identifier:
other: SMILES notation
O=C1Nc2c(cc(NC(=O)C(N=Nc3c([N+](=O)[O-])cc(cc3)Cl)C(=O)C)cc2)N1
2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide

CAS information

CAS number:
12236-62-3

Molecular and structural information

Molecular formula:
C17H13ClN6O5
Molecular weight:
416.775
SMILES notation:
[O-][N+](=O)c3cc(Cl)ccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1
InChl:
InChI=1/C17H13ClN6O5/c1-8(25)15(23-22-12-4-2-9(18)6-14(12)24(28)29)16(26)19-10-3-5-11-13(7-10)21-17(27)20-11/h2-7,15H,1H3,(H,19,26)(H2,20,21,27)
Structural formula:
Chemical structure