1-(1-imidazol-1-ylpropyl)-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(1-imidazol-1-ylpropyl)-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(1-imidazol-1-ylpropyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-[1-(1-imidazolyl)propyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(1-imidazol-1-ylpropyl)-2-oxopyridine-3-carboxylic acid Traditional Name: 1-(1-imidazol-1-ylpropyl)-2-keto-nicotinic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=CN=C1)N2C=CC=C(C2=O)C(=O)O

Isomeric SMILES

CCC(N1C=CN=C1)N2C=CC=C(C2=O)C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-2-10(14-7-5-13-8-14)15-6-3-4-9(11(15)16)12(17)18/h3-8,10H,2H2,1H3,(H,17,18)