1-methyl-5-nitro-imidazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-nitro-imidazole-4-carboxylic acid Openeye Name: 1-methyl-5-nitro-imidazole-4-carboxylic acid CAS Name: 1-methyl-5-nitro-4-imidazolecarboxylic acid IUPAC Name: 1-methyl-5-nitroimidazole-4-carboxylic acid Traditional Name: 1-methyl-5-nitro-imidazole-4-carboxylic acid Formula: C5H5N3O4 MolecularWeight: 171.1109

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C=NC(=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C5H5N3O4/c1-7-2-6-3(5(9)10)4(7)8(11)12/h2H,1H3,(H,9,10)