4-(5-fluoranyl-2-nitro-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid

Systemtic Name: 4-(5-fluoranyl-2-nitro-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid Openeye Name: 4-(5-fluoro-2-nitro-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid CAS Name: 4-(5-fluoro-2-nitrophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid IUPAC Name: 4-(5-fluoro-2-nitrophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid Traditional Name: 4-(5-fluoro-2-nitro-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeric acid Formula: C13H13F4NO5 MolecularWeight: 339.239633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F4NO5/c1-11(2,6-12(21,10(19)20)13(15,16)17)8-5-7(14)3-4-9(8)18(22)23/h3-5,21H,6H2,1-2H3,(H,19,20)