4-(1-methylindol-3-yl)-7-nitro-3-oxidanidyl-5-(trifluoromethylsulfonyl)-1,4-dihydro-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-(1-methylindol-3-yl)-7-nitro-3-oxidanidyl-5-(trifluoromethylsulfonyl)-1,4-dihydro-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(1-methylindol-3-yl)-7-nitro-3-oxido-5-(trifluoromethylsulfonyl)-1,4-dihydro-2,1,3-benzoxadiazol-3-ium CAS Name: 4-(1-methyl-3-indolyl)-7-nitro-3-oxido-5-(trifluoromethylsulfonyl)-1,4-dihydro-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(1-methylindol-3-yl)-7-nitro-3-oxido-5-(trifluoromethylsulfonyl)-1,4-dihydro-2,1,3-benzoxadiazol-3-ium Traditional Name: 4-(1-methylindol-3-yl)-7-nitro-3-oxido-5-triflyl-1,4-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(=CC(=C4C3=[N+](ON4)[O-])[N+](=O)[O-])S(=O)(=O)C(F)(F)F

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3C(=CC(=C4C3=[N+](ON4)[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/h2-7,13,20H,1H3