5-nitro-4-(2-nitropropan-2-yl)-3-oxidanidyl-7-(trifluoromethyl)-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 5-nitro-4-(2-nitropropan-2-yl)-3-oxidanidyl-7-(trifluoromethyl)-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(1-methyl-1-nitro-ethyl)-5-nitro-3-oxido-7-(trifluoromethyl)-2,1,3-benzoxadiazol-3-ium CAS Name: 5-nitro-4-(2-nitropropan-2-yl)-3-oxido-7-(trifluoromethyl)-2,1,3-benzoxadiazol-3-ium IUPAC Name: 5-nitro-4-(2-nitropropan-2-yl)-3-oxido-7-(trifluoromethyl)-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(1-methyl-1-nitro-ethyl)-6-nitro-1-oxido-4-(trifluoromethyl)benzofurazan-1-ium Formula: C10H7F3N4O6 MolecularWeight: 336.18099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=C(C2=NO[N+](=C12)[O-])C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=C(C=C(C2=NO[N+](=C12)[O-])C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7F3N4O6/c1-9(2,17(21)22)6-5(15(18)19)3-4(10(11,12)13)7-8(6)16(20)23-14-7/h3H,1-2H3