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

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[4-chloro-3-(trifluoromethyl)anilino]-3-methyl-butanoic acid CAS Name: 2-[4-chloro-3-(trifluoromethyl)anilino]-3-methylbutanoic acid IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)anilino]-3-methylbutanoic acid Traditional Name: 2-[4-chloro-3-(trifluoromethyl)anilino]-3-methyl-butyric acid Formula: C12H13ClF3NO2 MolecularWeight: 295.68533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-7-3-4-9(13)8(5-7)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)