methyl 6-[2-(1,4,5-trimethoxy-3-oxidanylidene-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[2-(1,4,5-trimethoxy-3-oxidanylidene-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[2-(1,4,5-trimethoxy-3-oxo-isoindolin-2-yl)ethyl]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[2-(1,4,5-trimethoxy-3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-(1,4,5-trimethoxy-3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[2-(3-keto-1,4,5-trimethoxy-isoindolin-2-yl)ethyl]-piperonylic acid methyl ester Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=C(C(=C(C=C2)OC)OC)C(=O)N1CCC3=CC4=C(C=C3C(=O)OC)OCO4

Isomeric SMILES

COC1C2=C(C(=C(C=C2)OC)OC)C(=O)N1CCC3=CC4=C(C=C3C(=O)OC)OCO4

InChI

InChI=1S/C22H23NO8/c1-26-15-6-5-13-18(19(15)27-2)20(24)23(21(13)28-3)8-7-12-9-16-17(31-11-30-16)10-14(12)22(25)29-4/h5-6,9-10,21H,7-8,11H2,1-4H3