[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(4-dimethylaminophenyl)azobenzoate CAS Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Traditional Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C26H25N5O3/c1-30(2)21-15-13-20(14-16-21)28-29-24-12-7-6-11-23(24)26(33)34-19-25(32)31(18-8-17-27)22-9-4-3-5-10-22/h3-7,9-16H,8,18-19H2,1-2H3