methyl 2-(3,5-dinitro-1,2,4-triazol-1-yl)ethanoate

Systemtic Name: methyl 2-(3,5-dinitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: methyl 2-(3,5-dinitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3,5-dinitro-1,2,4-triazol-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(3,5-dinitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3,5-dinitro-1,2,4-triazol-1-yl)acetic acid methyl ester Formula: C5H5N5O6 MolecularWeight: 231.1231

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H5N5O6/c1-16-3(11)2-8-5(10(14)15)6-4(7-8)9(12)13/h2H2,1H3