methyl 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzoate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]benzoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]benzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoate Traditional Name: 2-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzoic acid methyl ester Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N2O5/c1-29-24(28)18-8-4-5-9-19(18)25-22-16-6-2-3-7-17(16)23(27)26(22)13-15-10-11-20-21(12-15)31-14-30-20/h2-12,22,25H,13-14H2,1H3