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

Systemtic Name: [4-(2-methylpropylamino)-3-nitro-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(isobutylamino)-3-nitro-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(2-methylpropylamino)-3-nitro-2-pyridinyl] ester IUPAC Name: [4-(2-methylpropylamino)-3-nitropyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(isobutylamino)-3-nitro-2-pyridyl] ester Formula: C10H12F3N3O5S MolecularWeight: 343.27959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C(=NC=C1)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C(=NC=C1)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H12F3N3O5S/c1-6(2)5-15-7-3-4-14-9(8(7)16(17)18)21-22(19,20)10(11,12)13/h3-4,6H,5H2,1-2H3,(H,14,15)