[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 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 [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-piperonyl-isoindoline-5-carboxylic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H19ClN2O7 MolecularWeight: 506.89126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H19ClN2O7/c1-14(23(30)28-18-6-4-17(27)5-7-18)36-26(33)16-3-8-19-20(11-16)25(32)29(24(19)31)12-15-2-9-21-22(10-15)35-13-34-21/h2-11,14H,12-13H2,1H3,(H,28,30)