[4-[(2-methyl-2-oxidanyl-propyl)amino]-3-nitro-quinolin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[(2-methyl-2-oxidanyl-propyl)amino]-3-nitro-quinolin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[(2-hydroxy-2-methyl-propyl)amino]-3-nitro-2-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[(2-hydroxy-2-methylpropyl)amino]-3-nitro-2-quinolinyl] ester IUPAC Name: [4-[(2-hydroxy-2-methylpropyl)amino]-3-nitroquinolin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[(2-hydroxy-2-methyl-propyl)amino]-3-nitro-2-quinolyl] ester Formula: C14H14F3N3O6S MolecularWeight: 409.33767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C(=NC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(CNC1=C(C(=NC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C14H14F3N3O6S/c1-13(2,21)7-18-10-8-5-3-4-6-9(8)19-12(11(10)20(22)23)26-27(24,25)14(15,16)17/h3-6,21H,7H2,1-2H3,(H,18,19)