6-[(5-ethyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5-ethyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]pyridine-3-carboxylic acid Openeye Name: 6-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)pyridine-3-carboxylic acid CAS Name: 6-[(5-ethyl-2-oxo-1,3-dihydroimidazol-4-yl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)pyridine-3-carboxylic acid Traditional Name: 6-(5-ethyl-2-keto-4-imidazoline-4-carbonyl)nicotinic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)N1)C(=O)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=C(NC(=O)N1)C(=O)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H11N3O4/c1-2-7-9(15-12(19)14-7)10(16)8-4-3-6(5-13-8)11(17)18/h3-5H,2H2,1H3,(H,17,18)(H2,14,15,19)