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

Systemtic Name: [3-[(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] benzoate Openeye Name: [3-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [3-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [3-[(E)-3-(3-chloro-2-methyl-anilino)-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=C(C=CC=C1Cl)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H17ClN2O3/c1-16-21(25)11-6-12-22(16)27-23(28)19(15-26)13-17-7-5-10-20(14-17)30-24(29)18-8-3-2-4-9-18/h2-14H,1H3,(H,27,28)/b19-13+