1-butyl-4,6-dimethyl-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-butyl-4,6-dimethyl-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-butyl-4,6-dimethyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-butyl-4,6-dimethyl-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-butyl-4,6-dimethyl-2-oxopyridine-3-carboxylic acid Traditional Name: 1-butyl-2-keto-4,6-dimethyl-nicotinic acid Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C(C1=O)C(=O)O)C)C

Isomeric SMILES

CCCCN1C(=CC(=C(C1=O)C(=O)O)C)C

InChI

InChI=1S/C12H17NO3/c1-4-5-6-13-9(3)7-8(2)10(11(13)14)12(15)16/h7H,4-6H2,1-3H3,(H,15,16)