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

Systemtic Name: 5-nitro-2-(3-oxidanylidenebutyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-nitro-2-(3-oxobutyl)-1H-1,2,4-triazol-3-one CAS Name: 5-nitro-2-(3-oxobutyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-nitro-2-(3-oxobutyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(3-ketobutyl)-5-nitro-1H-1,2,4-triazol-3-one Formula: C6H8N4O4 MolecularWeight: 200.15212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)N=C(N1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCN1C(=O)N=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C6H8N4O4/c1-4(11)2-3-9-6(12)7-5(8-9)10(13)14/h2-3H2,1H3,(H,7,8,12)