[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)NC2=CC=CC(=C2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)NC2=CC=CC(=C2)C)OC

InChI

InChI=1S/C21H22ClNO5/c1-4-27-21-17(22)11-15(12-18(21)26-3)8-9-20(25)28-13-19(24)23-16-7-5-6-14(2)10-16/h5-12H,4,13H2,1-3H3,(H,23,24)/b9-8+