[(2Z)-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2Z)-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(2Z)-4-methyl-3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(2Z)-3-keto-4-methyl-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C23H15NO6 MolecularWeight: 401.3683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CC3=CC=NC=C3)O2)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)/C(=C/C3=CC=NC=C3)/O2)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H15NO6/c1-13-8-16(29-23(26)15-2-3-17-18(10-15)28-12-27-17)11-19-21(13)22(25)20(30-19)9-14-4-6-24-7-5-14/h2-11H,12H2,1H3/b20-9-