2-[[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[2-chloro-6-fluoro-4-(trifluoromethyl)anilino]-3-methyl-butanoic acid CAS Name: 2-[2-chloro-6-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid IUPAC Name: 2-[2-chloro-6-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid Traditional Name: 2-[2-chloro-6-fluoro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid Formula: C12H12ClF4NO2 MolecularWeight: 313.675793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C=C(C=C1Cl)C(F)(F)F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC1=C(C=C(C=C1Cl)C(F)(F)F)F

InChI

InChI=1S/C12H12ClF4NO2/c1-5(2)9(11(19)20)18-10-7(13)3-6(4-8(10)14)12(15,16)17/h3-5,9,18H,1-2H3,(H,19,20)