5-heptyl-4-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 5-heptyl-4-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 5-heptyl-4-oxo-1H-pyridine-3-carboxylic acid CAS Name: 5-heptyl-4-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 5-heptyl-4-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 5-heptyl-4-keto-1H-pyridine-3-carboxylic acid Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CNC=C(C1=O)C(=O)O

Isomeric SMILES

CCCCCCCC1=CNC=C(C1=O)C(=O)O

InChI

InChI=1S/C13H19NO3/c1-2-3-4-5-6-7-10-8-14-9-11(12(10)15)13(16)17/h8-9H,2-7H2,1H3,(H,14,15)(H,16,17)