[2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxidanylidene-pyran-4-yl] pyridine-4-carboxylate

Systemtic Name: [2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxidanylidene-pyran-4-yl] pyridine-4-carboxylate Openeye Name: [2-(benzofuran-2-yl)-3,5-dimethyl-6-oxo-pyran-4-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(2-benzofuranyl)-3,5-dimethyl-6-oxo-4-pyranyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxopyran-4-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(benzofuran-2-yl)-6-keto-3,5-dimethyl-pyran-4-yl] ester Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)C(=C1OC(=O)C2=CC=NC=C2)C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(OC(=O)C(=C1OC(=O)C2=CC=NC=C2)C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H15NO5/c1-12-18(26-21(24)14-7-9-22-10-8-14)13(2)20(23)27-19(12)17-11-15-5-3-4-6-16(15)25-17/h3-11H,1-2H3