[5,6-dimethyl-4-[(2-methyl-2-oxidanyl-propyl)amino]-3-nitro-pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5,6-dimethyl-4-[(2-methyl-2-oxidanyl-propyl)amino]-3-nitro-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[(2-hydroxy-2-methyl-propyl)amino]-5,6-dimethyl-3-nitro-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[(2-hydroxy-2-methylpropyl)amino]-5,6-dimethyl-3-nitro-2-pyridinyl] ester IUPAC Name: [4-[(2-hydroxy-2-methylpropyl)amino]-5,6-dimethyl-3-nitropyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[(2-hydroxy-2-methyl-propyl)amino]-5,6-dimethyl-3-nitro-2-pyridyl] ester Formula: C12H16F3N3O6S MolecularWeight: 387.33215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC(C)(C)O

Isomeric SMILES

CC1=C(C(=C(N=C1C)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC(C)(C)O

InChI

InChI=1S/C12H16F3N3O6S/c1-6-7(2)17-10(24-25(22,23)12(13,14)15)9(18(20)21)8(6)16-5-11(3,4)19/h19H,5H2,1-4H3,(H,16,17)