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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-cyanophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-oxo-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-oxoprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-(2-cyanoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C24H15N3O3 MolecularWeight: 393.3942

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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=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C24H15N3O3/c25-15-19-8-4-5-9-22(19)27-23(28)20(16-26)14-17-10-12-21(13-11-17)30-24(29)18-6-2-1-3-7-18/h1-14H,(H,27,28)/b20-14+