[2-nitro-4-(trifluoromethyl)phenyl]-[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [2-nitro-4-(trifluoromethyl)phenyl]-[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]-[2-nitro-4-(trifluoromethyl)phenyl]ammonium chloride CAS Name: [(2S)-1-hydroxy-1-oxopropan-2-yl]-[2-nitro-4-(trifluoromethyl)phenyl]ammonium chloride IUPAC Name: [(2S)-1-hydroxy-1-oxopropan-2-yl]-[2-nitro-4-(trifluoromethyl)phenyl]azanium chloride Traditional Name: [(1S)-2-hydroxy-2-keto-1-methyl-ethyl]-[2-nitro-4-(trifluoromethyl)phenyl]ammonium chloride Formula: C10H10ClF3N2O4 MolecularWeight: 314.64561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[NH2+]C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[C@@H](C(=O)O)[NH2+]C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C10H9F3N2O4.ClH/c1-5(9(16)17)14-7-3-2-6(10(11,12)13)4-8(7)15(18)19;/h2-5,14H,1H3,(H,16,17);1H/t5-;/m0./s1