methyl 5-azanyl-4-nitro-imidazole-1-carboxylate

Systemtic Name: methyl 5-azanyl-4-nitro-imidazole-1-carboxylate Openeye Name: methyl 5-amino-4-nitro-imidazole-1-carboxylate CAS Name: 5-amino-4-nitro-1-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-nitroimidazole-1-carboxylate Traditional Name: 5-amino-4-nitro-imidazole-1-carboxylic acid methyl ester Formula: C5H6N4O4 MolecularWeight: 186.12554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=NC(=C1N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1C=NC(=C1N)[N+](=O)[O-]

InChI

InChI=1S/C5H6N4O4/c1-13-5(10)8-2-7-4(3(8)6)9(11)12/h2H,6H2,1H3