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Reference substances

Reference substances

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General information

Inventory

EC number:
226-070-4
EC name:
2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate
CAS number:
5261-31-4

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Reference substance information

IUPAC name:
2-[(2-cyanoethyl)({4-[2-(2,6-dichloro-4-nitrophenyl)diazen-1-yl]phenyl}) amino]ethyl acetate
Synonyms
Names:
Propanenitrile, 3- 2-(acetyloxy)ethyl 4- (2,6-dichloro-4-nitrophenyl)azo phenyl amino -
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4- [(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-
Identifier:
CAS number
5261-31-4
Identifier:
IUPAC name
2-[(2-cyanoethyl)({4-[2-(2,6-dichloro-4-nitrophenyl)diazen-1-yl]phenyl})amino]ethyl acetate
Identifier:
IUPAC name
2-[(2-cyanoethyl){4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}amino]ethyl acetate
Identifier:
other: EINECS name
2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate
Identifier:
other: SMILES notation
C(C)(=O)OCCN(C1=CC=C(C=C1)N=NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl)CCC#N
Identifier:
other: SMILES notation
CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-]
Identifier:
other: InChl
InChI=1/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3
Identifier:
other: InChl
InChI=1S/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3

CAS information

CAS number:
5261-31-4

Molecular and structural information

Molecular formula:
C19H17Cl2N5O4
Molecular weight:
450.3
SMILES notation:
CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O
InChl:
226-070-4
Structural formula:
Chemical structure