2-(3-nitro-1,2,4-triazol-1-yl)ethanoic acid

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)ethanoic acid Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid Formula: C4H4N4O4 MolecularWeight: 172.09896

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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)