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

Systemtic Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)ethanoic acid Openeye Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetic acid CAS Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetic acid IUPAC Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetic acid Traditional Name: 2-(3-nitro-1H-1,2,4-triazol-5-yl)acetic acid Formula: C4H4N4O4 MolecularWeight: 172.09896

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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)