(4-methylphenyl)methyl 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-methylphenyl)methyl 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: p-tolylmethyl 2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-piperonyl-isoindoline-5-carboxylic acid (4-methylbenzyl) ester Formula: C25H19NO6 MolecularWeight: 429.42146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19NO6/c1-15-2-4-16(5-3-15)13-30-25(29)18-7-8-19-20(11-18)24(28)26(23(19)27)12-17-6-9-21-22(10-17)32-14-31-21/h2-11H,12-14H2,1H3