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

Systemtic Name: [3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-keto-2-(2,3,4-trimethoxybenzylidene)coumaran-6-yl] ester Formula: C26H20O9 MolecularWeight: 476.4316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20O9/c1-29-19-9-4-14(24(30-2)25(19)31-3)10-22-23(27)17-7-6-16(12-20(17)35-22)34-26(28)15-5-8-18-21(11-15)33-13-32-18/h4-12H,13H2,1-3H3