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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(m-anisidino)prop-1-enyl]phenyl] ester Formula: C24H17ClN2O4 MolecularWeight: 432.85578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)/C#N

InChI

InChI=1S/C24H17ClN2O4/c1-30-22-4-2-3-20(14-22)27-23(28)18(15-26)13-16-5-11-21(12-6-16)31-24(29)17-7-9-19(25)10-8-17/h2-14H,1H3,(H,27,28)/b18-13+