5-ethanoyl-6-methyl-2-oxidanylidene-1-propyl-pyridine-3-carboxylic acid

Systemtic Name: 5-ethanoyl-6-methyl-2-oxidanylidene-1-propyl-pyridine-3-carboxylic acid Openeye Name: 5-acetyl-6-methyl-2-oxo-1-propyl-pyridine-3-carboxylic acid CAS Name: 5-acetyl-6-methyl-2-oxo-1-propyl-3-pyridinecarboxylic acid IUPAC Name: 5-acetyl-6-methyl-2-oxo-1-propylpyridine-3-carboxylic acid Traditional Name: 5-acetyl-2-keto-6-methyl-1-propyl-nicotinic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=C(C1=O)C(=O)O)C(=O)C)C

Isomeric SMILES

CCCN1C(=C(C=C(C1=O)C(=O)O)C(=O)C)C

InChI

InChI=1S/C12H15NO4/c1-4-5-13-7(2)9(8(3)14)6-10(11(13)15)12(16)17/h6H,4-5H2,1-3H3,(H,16,17)