[4-[3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[3-(3-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[3-(3-chloroanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C24H17ClN2O3 MolecularWeight: 416.85638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClN2O3/c1-16-5-9-18(10-6-16)24(29)30-22-11-7-17(8-12-22)13-19(15-26)23(28)27-21-4-2-3-20(25)14-21/h2-14H,1H3,(H,27,28)