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

Systemtic Name: [3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C22H13NO6 MolecularWeight: 387.34172

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=NC=C5)O4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=NC=C5)O4

InChI

InChI=1S/C22H13NO6/c24-21-16-3-2-15(11-18(16)29-20(21)9-13-5-7-23-8-6-13)28-22(25)14-1-4-17-19(10-14)27-12-26-17/h1-11H,12H2