1-(3,5-dinitro-1,2,4-triazol-1-yl)propan-2-one

Systemtic Name: 1-(3,5-dinitro-1,2,4-triazol-1-yl)propan-2-one Openeye Name: 1-(3,5-dinitro-1,2,4-triazol-1-yl)propan-2-one CAS Name: 1-(3,5-dinitro-1,2,4-triazol-1-yl)-2-propanone IUPAC Name: 1-(3,5-dinitro-1,2,4-triazol-1-yl)propan-2-one Traditional Name: 1-(3,5-dinitro-1,2,4-triazol-1-yl)acetone Formula: C5H5N5O5 MolecularWeight: 215.1237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N5O5/c1-3(11)2-8-5(10(14)15)6-4(7-8)9(12)13/h2H2,1H3