2-(hydroxymethyl)-5-nitro-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(hydroxymethyl)-5-nitro-1H-1,2,4-triazol-3-one Openeye Name: 2-(hydroxymethyl)-5-nitro-1H-1,2,4-triazol-3-one CAS Name: 2-(hydroxymethyl)-5-nitro-1H-1,2,4-triazol-3-one IUPAC Name: 2-(hydroxymethyl)-5-nitro-1H-1,2,4-triazol-3-one Traditional Name: 2-methylol-5-nitro-1H-1,2,4-triazol-3-one Formula: C3H4N4O4 MolecularWeight: 160.08826

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Descriptors Computed from Structure

Canonical SMILES:

C(N1C(=O)N=C(N1)[N+](=O)[O-])O

Isomeric SMILES

C(N1C(=O)N=C(N1)[N+](=O)[O-])O

InChI

InChI=1S/C3H4N4O4/c8-1-6-3(9)4-2(5-6)7(10)11/h8H,1H2,(H,4,5,9)