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

Systemtic Name: [3-[(E)-2-cyano-3-[(3-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-chloranylbenzoate Openeye Name: [3-[(E)-3-(3-acetylanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-[(E)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [3-[(E)-3-(3-acetylanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C25H17ClN2O4 MolecularWeight: 444.86648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Cl)/C#N

InChI

InChI=1S/C25H17ClN2O4/c1-16(29)18-7-5-8-20(14-18)28-24(30)19(15-27)12-17-6-4-9-21(13-17)32-25(31)22-10-2-3-11-23(22)26/h2-14H,1H3,(H,28,30)/b19-12+