1-(2-ethylhexyl)-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(2-ethylhexyl)-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(2-ethylhexyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-(2-ethylhexyl)-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(2-ethylhexyl)-2-oxopyridine-3-carboxylic acid Traditional Name: 1-(2-ethylhexyl)-2-keto-nicotinic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C=CC=C(C1=O)C(=O)O

Isomeric SMILES

CCCCC(CC)CN1C=CC=C(C1=O)C(=O)O

InChI

InChI=1S/C14H21NO3/c1-3-5-7-11(4-2)10-15-9-6-8-12(13(15)16)14(17)18/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)