[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-dimethylaminophenyl)azobenzoate CAS Name: 2-(4-dimethylaminophenyl)azobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Traditional Name: 2-(4-dimethylaminophenyl)azobenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C)/N

InChI

InChI=1S/C21H21N5O3/c1-14(23)18(12-22)20(27)13-29-21(28)17-6-4-5-7-19(17)25-24-15-8-10-16(11-9-15)26(2)3/h4-11H,13,23H2,1-3H3/b18-14+,25-24?