2-(3-nitro-1H-1,2,4-triazol-5-yl)ethanoate

Systemtic Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)ethanoate Openeye Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetate CAS Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetate IUPAC Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetate Traditional Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetate Formula: C4H3N4O4- MolecularWeight: 171.09102

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=NC(=NN1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C(C1=NC(=NN1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C4H4N4O4/c9-3(10)1-2-5-4(7-6-2)8(11)12/h1H2,(H,9,10)(H,5,6,7)/p-1