[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C(=CC2=CC(=CC=C2)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N)OC

InChI

InChI=1S/C21H20N2O6/c1-26-17-6-4-5-14(10-17)9-15(12-22)21(25)29-13-20(24)23-16-7-8-18(27-2)19(11-16)28-3/h4-11H,13H2,1-3H3,(H,23,24)/b15-9+