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

Systemtic Name: methyl 2-(3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: methyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid methyl ester Formula: C5H6N4O4 MolecularWeight: 186.12554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3