dimethyl 5-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H22N2O7 MolecularWeight: 474.46208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C26H22N2O7/c1-32-25(30)16-10-17(26(31)33-2)12-18(11-16)27-23-19-5-3-4-6-20(19)24(29)28(23)13-15-7-8-21-22(9-15)35-14-34-21/h3-12,23,27H,13-14H2,1-2H3