6,7-dimethoxy-3-[4-methoxy-6-[2-(methylideneamino)ethyl]-1,3-benzodioxol-5-yl]-3H-2-benzofuran-1-one

Systemtic Name: 6,7-dimethoxy-3-[4-methoxy-6-[2-(methylideneamino)ethyl]-1,3-benzodioxol-5-yl]-3H-2-benzofuran-1-one Openeye Name: 6,7-dimethoxy-3-[4-methoxy-6-[2-(methyleneamino)ethyl]-1,3-benzodioxol-5-yl]-3H-isobenzofuran-1-one CAS Name: 6,7-dimethoxy-3-[4-methoxy-6-[2-(methyleneamino)ethyl]-1,3-benzodioxol-5-yl]-3H-isobenzofuran-1-one IUPAC Name: 6,7-dimethoxy-3-[4-methoxy-6-[2-(methylideneamino)ethyl]-1,3-benzodioxol-5-yl]-3H-2-benzofuran-1-one Traditional Name: 6,7-dimethoxy-3-[4-methoxy-6-[2-(methyleneamino)ethyl]-1,3-benzodioxol-5-yl]phthalide Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(C4=C(C=C3CCN=C)OCO4)OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(C4=C(C=C3CCN=C)OCO4)OC)OC

InChI

InChI=1S/C21H21NO7/c1-22-8-7-11-9-14-19(28-10-27-14)20(26-4)15(11)17-12-5-6-13(24-2)18(25-3)16(12)21(23)29-17/h5-6,9,17H,1,7-8,10H2,2-4H3