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Reference substances

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General information

Inventory

EC number:
227-876-9
EC name:
2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]ethyl acetate
CAS number:
6021-61-0

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Reference substance information

IUPAC name:
2-({4-[(E)-2-(2-chloro-4-nitrophenyl)diazen-1-yl]phenyl}(2-cyanoethyl)amino)ethyl acetate
Synonyms
Names:
Propanenitrile, 3- 2-(acetyloxy)ethyl 4- (2-chloro-4-nitrophenyl)azo phenyl amino -
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4- [(2-chloro-4-nitrophenyl)azo]phenyl]amino]-
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-
Identifier:
CAS number
6021-61-0
Identifier:
IUPAC name
(E)-2-((4-((2-chloro-4-nitrophenyl)diazenyl)phenyl)(2-cyanoethyl)amino)ethyl acetate
2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-cyanoethyl)amino]ethyl acetate

CAS information

CAS number:
6021-61-0

Molecular and structural information

Molecular formula:
C19H18ClN5O4
Molecular weight:
415.84
SMILES notation:
CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-]
InChl:
InChI=1/C19H18ClN5O4/c1-14(26)29-12-11-24(10-2-9-21)16-5-3-15(4-6-16)22-23-19-8-7-17(25(27)28)13-18(19)20/h3-8,13H,2,10-12H2,1H3
Structural formula:
Chemical structure