[6-methyl-3-nitro-4-(1-phenylethylamino)pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-methyl-3-nitro-4-(1-phenylethylamino)pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-methyl-3-nitro-4-(1-phenylethylamino)-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-methyl-3-nitro-4-(1-phenylethylamino)-2-pyridinyl] ester IUPAC Name: [6-methyl-3-nitro-4-(1-phenylethylamino)pyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-methyl-3-nitro-4-(1-phenylethylamino)-2-pyridyl] ester Formula: C15H14F3N3O5S MolecularWeight: 405.34897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NC(C)C2=CC=CC=C2)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=NC(=C(C(=C1)NC(C)C2=CC=CC=C2)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O5S/c1-9-8-12(20-10(2)11-6-4-3-5-7-11)13(21(22)23)14(19-9)26-27(24,25)15(16,17)18/h3-8,10H,1-2H3,(H,19,20)