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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-3-(4-acetylanilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-3-(4-acetylanilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H19ClN2O5 MolecularWeight: 474.89246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19ClN2O5/c1-16(30)18-6-10-22(11-7-18)29-25(31)20(15-28)13-17-3-12-23(24(14-17)33-2)34-26(32)19-4-8-21(27)9-5-19/h3-14H,1-2H3,(H,29,31)/b20-13+