ethyl 2-[3-[(3,4-dimethoxyphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[3-[(3,4-dimethoxyphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[3-[(3,4-dimethoxybenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(3,4-dimethoxybenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 3-keto-2-[3-(veratroylamino)isoindol-1-ylidene]butyric acid ethyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=C(C=C3)OC)OC)C(=O)C

Isomeric SMILES

CCOC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=C(C=C3)OC)OC)C(=O)C

InChI

InChI=1S/C23H22N2O6/c1-5-31-23(28)19(13(2)26)20-15-8-6-7-9-16(15)21(24-20)25-22(27)14-10-11-17(29-3)18(12-14)30-4/h6-12H,5H2,1-4H3,(H,24,25,27)