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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H21ClN2O4/c1-32-24-16-19(7-12-23(24)33-26(31)20-8-10-22(27)11-9-20)15-21(17-28)25(30)29-14-13-18-5-3-2-4-6-18/h2-12,15-16H,13-14H2,1H3,(H,29,30)/b21-15+