7-(1-methylindol-3-yl)-4-nitro-1-oxidanidyl-6-(trifluoromethylsulfonyl)-6,7-dihydro-2,1,3-benzoxadiazol-1-ium

Systemtic Name: 7-(1-methylindol-3-yl)-4-nitro-1-oxidanidyl-6-(trifluoromethylsulfonyl)-6,7-dihydro-2,1,3-benzoxadiazol-1-ium Openeye Name: 7-(1-methylindol-3-yl)-4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-6,7-dihydro-2,1,3-benzoxadiazol-1-ium CAS Name: 7-(1-methyl-3-indolyl)-4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-6,7-dihydro-2,1,3-benzoxadiazol-1-ium IUPAC Name: 7-(1-methylindol-3-yl)-4-nitro-1-oxido-6-(trifluoromethylsulfonyl)-6,7-dihydro-2,1,3-benzoxadiazol-1-ium Traditional Name: 4-(1-methylindol-3-yl)-7-nitro-3-oxido-5-triflyl-4,5-dihydrobenzofurazan-3-ium Formula: C16H11F3N4O6S MolecularWeight: 444.34195

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-])S(=O)(=O)C(F)(F)F

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3C(C=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-])S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H11F3N4O6S/c1-21-7-9(8-4-2-3-5-10(8)21)13-12(30(27,28)16(17,18)19)6-11(22(24)25)14-15(13)23(26)29-20-14/h2-7,12-13H,1H3