6-[2-(4,5-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 6-[2-(4,5-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde Openeye Name: 6-[2-(6,7-dimethoxy-1-oxo-isoindolin-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde CAS Name: 6-[2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 6-[2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carbaldehyde Traditional Name: 6-[2-(1-keto-6,7-dimethoxy-isoindolin-2-yl)ethyl]piperonal Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C2=O)CCC3=CC4=C(C=C3C=O)OCO4)C=C1)OC

Isomeric SMILES

COC1=C(C2=C(CN(C2=O)CCC3=CC4=C(C=C3C=O)OCO4)C=C1)OC

InChI

InChI=1S/C20H19NO6/c1-24-15-4-3-13-9-21(20(23)18(13)19(15)25-2)6-5-12-7-16-17(27-11-26-16)8-14(12)10-22/h3-4,7-8,10H,5-6,9,11H2,1-2H3