1-(3-imidazol-1-ylpropyl)-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(3-imidazol-1-ylpropyl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-[3-(1-imidazolyl)propyl]-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(3-imidazol-1-ylpropyl)-4-oxopyridine-3-carboxylic acid Traditional Name: 1-(3-imidazol-1-ylpropyl)-4-keto-nicotinic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C(C1=O)C(=O)O)CCCN2C=CN=C2

Isomeric SMILES

C1=CN(C=C(C1=O)C(=O)O)CCCN2C=CN=C2

InChI

InChI=1S/C12H13N3O3/c16-11-2-6-14(8-10(11)12(17)18)4-1-5-15-7-3-13-9-15/h2-3,6-9H,1,4-5H2,(H,17,18)