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

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetate IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetate Formula: C4H3N4O4- MolecularWeight: 171.09102

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C4H4N4O4/c9-3(10)1-7-2-5-4(6-7)8(11)12/h2H,1H2,(H,9,10)/p-1