[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(2,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(2,4-dimethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C25H18O8 MolecularWeight: 446.40562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

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