[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C22H16N4O3 MolecularWeight: 384.38744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H16N4O3/c23-14-16-5-4-6-17(13-16)22(28)29-15-21(27)24-18-9-11-20(12-10-18)26-25-19-7-2-1-3-8-19/h1-13H,15H2,(H,24,27)