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

Systemtic Name: 2-(hydroxymethyl)-4-methyl-5-nitro-1,2,4-triazol-3-one Openeye Name: 2-(hydroxymethyl)-4-methyl-5-nitro-1,2,4-triazol-3-one CAS Name: 2-(hydroxymethyl)-4-methyl-5-nitro-1,2,4-triazol-3-one IUPAC Name: 2-(hydroxymethyl)-4-methyl-5-nitro-1,2,4-triazol-3-one Traditional Name: 4-methyl-2-methylol-5-nitro-1,2,4-triazol-3-one Formula: C4H6N4O4 MolecularWeight: 174.11484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CO)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN(C1=O)CO)[N+](=O)[O-]

InChI

InChI=1S/C4H6N4O4/c1-6-3(8(11)12)5-7(2-9)4(6)10/h9H,2H2,1H3