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

Systemtic Name: methyl 3-chloranyl-4-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl 3-chloro-4-(3-chloro-2-methyl-anilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate CAS Name: 3-chloro-4-(3-chloro-2-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl 3-chloro-4-(3-chloro-2-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: 3-chloro-4-(3-chloro-2-methyl-anilino)-2-hydroxy-4-keto-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H12Cl2F3NO4 MolecularWeight: 374.13989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C(C(=O)OC)(C(F)(F)F)O)Cl

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C(C(=O)OC)(C(F)(F)F)O)Cl

InChI

InChI=1S/C13H12Cl2F3NO4/c1-6-7(14)4-3-5-8(6)19-10(20)9(15)12(22,11(21)23-2)13(16,17)18/h3-5,9,22H,1-2H3,(H,19,20)