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

Systemtic Name: methyl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid methyl ester Formula: C13H15ClF3NO2 MolecularWeight: 309.71191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClF3NO2/c1-7(2)11(12(19)20-3)18-10-5-4-8(6-9(10)14)13(15,16)17/h4-7,11,18H,1-3H3