5-butyl-1-ethyl-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 5-butyl-1-ethyl-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 5-butyl-1-ethyl-4-oxo-pyridine-3-carboxylic acid CAS Name: 5-butyl-1-ethyl-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 5-butyl-1-ethyl-4-oxopyridine-3-carboxylic acid Traditional Name: 5-butyl-1-ethyl-4-keto-nicotinic acid Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C=C(C1=O)C(=O)O)CC

Isomeric SMILES

CCCCC1=CN(C=C(C1=O)C(=O)O)CC

InChI

InChI=1S/C12H17NO3/c1-3-5-6-9-7-13(4-2)8-10(11(9)14)12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)