[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(2,3-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(2,3-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(2,3-dimethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C25H18O8 MolecularWeight: 446.40562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18O8/c1-28-19-5-3-4-14(24(19)29-2)10-22-23(26)17-8-7-16(12-20(17)33-22)32-25(27)15-6-9-18-21(11-15)31-13-30-18/h3-12H,13H2,1-2H3