sodium 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: sodium 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: sodium 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]pyridine-2-carboxylic acid CAS Name: sodium 3-[[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: sodium 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: sodium 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]picolinic acid Formula: C13H13N5NaO5+ MolecularWeight: 342.26259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)C2=C(N=CC=C2)C(=O)O)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)C2=C(N=CC=C2)C(=O)O)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H13N5O5.Na/c1-8-16-7-10(18(22)23)17(8)6-5-15-12(19)9-3-2-4-14-11(9)13(20)21;/h2-4,7H,5-6H2,1H3,(H,15,19)(H,20,21);/q;+1