1-[2-(4-nitroimidazol-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-nitroimidazol-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(4-nitroimidazol-1-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(4-nitro-1-imidazolyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4-nitroimidazol-1-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(4-nitroimidazol-1-yl)ethyl]triazole-4-carboxylic acid Formula: C8H8N6O4 MolecularWeight: 252.18692

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=NN1CCN2C=C(N=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(N=NN1CCN2C=C(N=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H8N6O4/c15-8(16)6-3-13(11-10-6)2-1-12-4-7(9-5-12)14(17)18/h3-5H,1-2H2,(H,15,16)