2-[[3-acetamido-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl ethanoate

Systemtic Name: 2-[[3-acetamido-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl ethanoate Openeye Name: 2-[3-acetamido-N-(2-cyanoethyl)-4-(4-phenylazophenyl)azo-anilino]ethyl acetate CAS Name: acetic acid 2-[3-acetamido-N-(2-cyanoethyl)-4-(4-phenyldiazenylphenyl)azoanilino]ethyl ester IUPAC Name: 2-[3-acetamido-N-(2-cyanoethyl)-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[3-acetamido-N-(2-cyanoethyl)-4-(4-phenylazophenyl)azo-anilino]ethyl ester Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C27H27N7O3/c1-20(35)29-27-19-25(34(16-6-15-28)17-18-37-21(2)36)13-14-26(27)33-32-24-11-9-23(10-12-24)31-30-22-7-4-3-5-8-22/h3-5,7-14,19H,6,16-18H2,1-2H3,(H,29,35)