6-nitro-1-oxidanidyl-4-(trifluoromethyl)-2,1,3-benzoxadiazol-1-ium

Systemtic Name: 6-nitro-1-oxidanidyl-4-(trifluoromethyl)-2,1,3-benzoxadiazol-1-ium Openeye Name: 6-nitro-1-oxido-4-(trifluoromethyl)-2,1,3-benzoxadiazol-1-ium CAS Name: 6-nitro-1-oxido-4-(trifluoromethyl)-2,1,3-benzoxadiazol-1-ium IUPAC Name: 6-nitro-1-oxido-4-(trifluoromethyl)-2,1,3-benzoxadiazol-1-ium Traditional Name: 6-nitro-1-oxido-4-(trifluoromethyl)benzofurazan-1-ium Formula: C7H2F3N3O4 MolecularWeight: 249.10369

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=NO[N+](=C21)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=NO[N+](=C21)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C7H2F3N3O4/c8-7(9,10)4-1-3(12(14)15)2-5-6(4)11-17-13(5)16/h1-2H