methyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-1-oxidanyl-3-oxidanylidene-isoindole-1-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-1-oxidanyl-3-oxidanylidene-isoindole-1-carboxylate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-hydroxy-6,7-dimethoxy-3-oxo-isoindoline-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-hydroxy-6,7-dimethoxy-3-oxo-1-isoindolecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-hydroxy-6,7-dimethoxy-3-oxoisoindole-1-carboxylate Traditional Name: 2-homopiperonyl-1-hydroxy-3-keto-6,7-dimethoxy-isoindoline-1-carboxylic acid methyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)N(C2(C(=O)OC)O)CCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)N(C2(C(=O)OC)O)CCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H21NO8/c1-26-15-7-5-13-17(18(15)27-2)21(25,20(24)28-3)22(19(13)23)9-8-12-4-6-14-16(10-12)30-11-29-14/h4-7,10,25H,8-9,11H2,1-3H3