[2-(hydroxymethyl)-5-oxidanyl-4-pyridin-3-ylcarbonyloxy-oxolan-3-yl] pyridine-3-carboxylate

Systemtic Name: [2-(hydroxymethyl)-5-oxidanyl-4-pyridin-3-ylcarbonyloxy-oxolan-3-yl] pyridine-3-carboxylate Openeye Name: [5-hydroxy-2-(hydroxymethyl)-4-(pyridine-3-carbonyloxy)tetrahydrofuran-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-hydroxy-2-(hydroxymethyl)-4-[oxo(3-pyridinyl)methoxy]-3-oxolanyl] ester IUPAC Name: [5-hydroxy-2-(hydroxymethyl)-4-(pyridine-3-carbonyloxy)oxolan-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid (5-hydroxy-2-methylol-4-nicotinoyloxy-tetrahydrofuran-3-yl) ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2C(OC(C2OC(=O)C3=CN=CC=C3)O)CO

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2C(OC(C2OC(=O)C3=CN=CC=C3)O)CO

InChI

InChI=1S/C17H16N2O7/c20-9-12-13(25-15(21)10-3-1-5-18-7-10)14(17(23)24-12)26-16(22)11-4-2-6-19-8-11/h1-8,12-14,17,20,23H,9H2