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

Systemtic Name: 3-methyl-5-nitro-imidazole-4-carboxylic acid Openeye Name: 3-methyl-5-nitro-imidazole-4-carboxylic acid CAS Name: 3-methyl-5-nitro-4-imidazolecarboxylic acid IUPAC Name: 3-methyl-5-nitroimidazole-4-carboxylic acid Traditional Name: 3-methyl-5-nitro-imidazole-4-carboxylic acid Formula: C5H5N3O4 MolecularWeight: 171.1109

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1C(=O)O)[N+](=O)[O-]

InChI

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