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

Systemtic Name: [2-(1-benzofuran-2-yl)-3,5-dimethyl-6-oxidanylidene-pyran-4-yl] pyridine-3-carboxylate Openeye Name: [2-(benzofuran-2-yl)-3,5-dimethyl-6-oxo-pyran-4-yl] pyridine-3-carboxylate CAS Name: 3-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-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C2)C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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