[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC(=O)NC2=CC(=CC=C2)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)OC)OC

InChI

InChI=1S/C20H20ClNO6/c1-25-16-11-18(27-3)17(26-2)9-13(16)7-8-20(24)28-12-19(23)22-15-6-4-5-14(21)10-15/h4-11H,12H2,1-3H3,(H,22,23)/b8-7+