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

Systemtic Name: 5-nitro-2-(2-oxidanylidenepropyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-acetonyl-5-nitro-1H-1,2,4-triazol-3-one CAS Name: 5-nitro-2-(2-oxopropyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-nitro-2-(2-oxopropyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-acetonyl-5-nitro-1H-1,2,4-triazol-3-one Formula: C5H6N4O4 MolecularWeight: 186.12554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)N=C(N1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CN1C(=O)N=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C5H6N4O4/c1-3(10)2-8-5(11)6-4(7-8)9(12)13/h2H2,1H3,(H,6,7,11)