methyl 2-(4,5-dinitroimidazol-1-yl)ethanoate

Systemtic Name: methyl 2-(4,5-dinitroimidazol-1-yl)ethanoate Openeye Name: methyl 2-(4,5-dinitroimidazol-1-yl)acetate CAS Name: 2-(4,5-dinitro-1-imidazolyl)acetic acid methyl ester IUPAC Name: methyl 2-(4,5-dinitroimidazol-1-yl)acetate Traditional Name: 2-(4,5-dinitroimidazol-1-yl)acetic acid methyl ester Formula: C6H6N4O6 MolecularWeight: 230.13504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N4O6/c1-16-4(11)2-8-3-7-5(9(12)13)6(8)10(14)15/h3H,2H2,1H3