[3-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C24H18N2O3 MolecularWeight: 382.41132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H18N2O3/c1-17-10-12-19(13-11-17)24(28)29-22-9-5-6-18(15-22)14-20(16-25)23(27)26-21-7-3-2-4-8-21/h2-15H,1H3,(H,26,27)/b20-14+