2-[2-cyanoethyl-[4-[(2-cyano-3-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-cyanoethyl-[4-[(2-cyano-3-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2-cyano-3-nitro-phenyl)azo-3-methyl-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-3-nitrophenyl)azo-3-methylanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2-cyano-3-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-3-nitro-phenyl)azo-3-methyl-anilino]ethyl ester Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H20N6O4/c1-15-13-17(26(10-4-9-22)11-12-31-16(2)28)7-8-19(15)24-25-20-5-3-6-21(27(29)30)18(20)14-23/h3,5-8,13H,4,10-12H2,1-2H3