[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic 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)CN2C(=C)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=C)C3=CC=CC=C3C2=O)OC

InChI

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