2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pyridine-3-carboxylic acid CAS Name: 2-[[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]nicotinic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N4O5/c18-11(10-8(12(19)20)2-1-3-15-10)17-9(13(21)22)4-7-5-14-6-16-7/h1-3,5-6,9H,4H2,(H,14,16)(H,17,18)(H,19,20)(H,21,22)