4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridine-3-carboxylate

Systemtic Name: 4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridine-3-carboxylate Openeye Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylate CAS Name: 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylate IUPAC Name: 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate Traditional Name: 5-hydroxy-6-methyl-4-methylol-nicotinate Formula: C8H8NO4- MolecularWeight: 182.15342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C(=O)[O-]

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C(=O)[O-]

InChI

InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)/p-1