[(2Z)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] pyridine-4-carboxylate

Systemtic Name: [(2Z)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] pyridine-4-carboxylate Openeye Name: [(2Z)-3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2Z)-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(2Z)-3-keto-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C20H12N2O4 MolecularWeight: 344.32028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CN=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C20H12N2O4/c23-19-16-4-3-15(25-20(24)14-5-8-21-9-6-14)11-17(16)26-18(19)10-13-2-1-7-22-12-13/h1-12H/b18-10-