[4-[(E)-3-[(5-chloranyl-2-methoxy-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-3-[(5-chloranyl-2-methoxy-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-3-(5-chloro-2-methoxy-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-3-(5-chloro-2-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(5-chloro-2-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-3-(5-chloro-2-methoxy-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H21ClN2O6 MolecularWeight: 492.90774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=C(C=CC(=C3)Cl)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)Cl)OC)OC

InChI

InChI=1S/C26H21ClN2O6/c1-32-20-8-5-17(6-9-20)26(31)35-23-10-4-16(13-24(23)34-3)12-18(15-28)25(30)29-21-14-19(27)7-11-22(21)33-2/h4-14H,1-3H3,(H,29,30)/b18-12+