[4-(tert-butylamino)-3-nitro-quinolin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(tert-butylamino)-3-nitro-quinolin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(tert-butylamino)-3-nitro-2-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(tert-butylamino)-3-nitro-2-quinolinyl] ester IUPAC Name: [4-(tert-butylamino)-3-nitroquinolin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(tert-butylamino)-3-nitro-2-quinolyl] ester Formula: C14H14F3N3O5S MolecularWeight: 393.33827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N3O5S/c1-13(2,3)19-10-8-6-4-5-7-9(8)18-12(11(10)20(21)22)25-26(23,24)14(15,16)17/h4-7H,1-3H3,(H,18,19)