[4-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzoate

Systemtic Name: [4-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzoate Openeye Name: [4-[2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]phenyl] ester Formula: C23H15N3O5 MolecularWeight: 413.3823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5/c24-15-18(22(27)25-19-7-4-8-20(14-19)26(29)30)13-16-9-11-21(12-10-16)31-23(28)17-5-2-1-3-6-17/h1-14H,(H,25,27)