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

Systemtic Name: [4-[(E)-3-[(5-chloranyl-2-methoxy-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-3-(5-chloro-2-methoxy-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-3-(5-chloro-2-methoxy-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H21ClN2O5 MolecularWeight: 476.90834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C26H21ClN2O5/c1-16-4-7-18(8-5-16)26(31)34-23-10-6-17(13-24(23)33-3)12-19(15-28)25(30)29-21-14-20(27)9-11-22(21)32-2/h4-14H,1-3H3,(H,29,30)/b19-12+