methyl 3,5-dinitroimidazole-4-carboxylate

Systemtic Name: methyl 3,5-dinitroimidazole-4-carboxylate Openeye Name: methyl 3,5-dinitroimidazole-4-carboxylate CAS Name: 3,5-dinitro-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3,5-dinitroimidazole-4-carboxylate Traditional Name: 3,5-dinitroimidazole-4-carboxylic acid methyl ester Formula: C5H4N4O6 MolecularWeight: 216.10846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CN1[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(N=CN1[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H4N4O6/c1-15-5(10)3-4(8(11)12)6-2-7(3)9(13)14/h2H,1H3