6-oxidanylidene-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid

Systemtic Name: 6-oxidanylidene-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid Openeye Name: 6-oxo-1-(4-pyridylmethyl)pyridine-3-carboxylic acid CAS Name: 6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid Traditional Name: 6-keto-1-(4-pyridylmethyl)nicotinic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C=C1C(=O)O)CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=O)N(C=C1C(=O)O)CC2=CC=NC=C2

InChI

InChI=1S/C12H10N2O3/c15-11-2-1-10(12(16)17)8-14(11)7-9-3-5-13-6-4-9/h1-6,8H,7H2,(H,16,17)