[6-methyl-4-(2-methylpropylamino)-3-nitro-pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-methyl-4-(2-methylpropylamino)-3-nitro-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(isobutylamino)-6-methyl-3-nitro-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-methyl-4-(2-methylpropylamino)-3-nitro-2-pyridinyl] ester IUPAC Name: [6-methyl-4-(2-methylpropylamino)-3-nitropyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(isobutylamino)-6-methyl-3-nitro-2-pyridyl] ester Formula: C11H14F3N3O5S MolecularWeight: 357.30617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NCC(C)C)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=NC(=C(C(=C1)NCC(C)C)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H14F3N3O5S/c1-6(2)5-15-8-4-7(3)16-10(9(8)17(18)19)22-23(20,21)11(12,13)14/h4,6H,5H2,1-3H3,(H,15,16)