methyl 4-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl]oxymethyl]benzoate CAS Name: 4-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-6-benzofuranyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate Traditional Name: 4-[[(2Z)-3-keto-2-piperonylidene-coumaran-6-yl]oxymethyl]benzoic acid methyl ester Formula: C25H18O7 MolecularWeight: 430.40622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/O3

InChI

InChI=1S/C25H18O7/c1-28-25(27)17-5-2-15(3-6-17)13-29-18-7-8-19-21(12-18)32-23(24(19)26)11-16-4-9-20-22(10-16)31-14-30-20/h2-12H,13-14H2,1H3/b23-11-