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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=NC(=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCCCNC1=CC(=NC(=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C11H14F3N3O5S/c1-3-4-5-15-8-6-7(2)16-10(9(8)17(18)19)22-23(20,21)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,16)