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

Systemtic Name: [5-ethyl-6-methyl-4-(2-methylpropylamino)-3-nitro-pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [5-ethyl-4-(isobutylamino)-6-methyl-3-nitro-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-ethyl-6-methyl-4-(2-methylpropylamino)-3-nitro-2-pyridinyl] ester IUPAC Name: [5-ethyl-6-methyl-4-(2-methylpropylamino)-3-nitropyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [5-ethyl-4-(isobutylamino)-6-methyl-3-nitro-2-pyridyl] ester Formula: C13H18F3N3O5S MolecularWeight: 385.35933

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N=C1C)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC(C)C

Isomeric SMILES

CCC1=C(C(=C(N=C1C)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC(C)C

InChI

InChI=1S/C13H18F3N3O5S/c1-5-9-8(4)18-12(24-25(22,23)13(14,15)16)11(19(20)21)10(9)17-6-7(2)3/h7H,5-6H2,1-4H3,(H,17,18)