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

Systemtic Name: 1-ethyl-5-hexyl-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-ethyl-5-hexyl-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-ethyl-5-hexyl-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-ethyl-5-hexyl-4-oxopyridine-3-carboxylic acid Traditional Name: 1-ethyl-5-hexyl-4-keto-nicotinic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN(C=C(C1=O)C(=O)O)CC

Isomeric SMILES

CCCCCCC1=CN(C=C(C1=O)C(=O)O)CC

InChI

InChI=1S/C14H21NO3/c1-3-5-6-7-8-11-9-15(4-2)10-12(13(11)16)14(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)