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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)ONC1=C(C=C(C=C1)C(F)(F)F)Cl

Isomeric SMILES

CC(C)CC(=O)ONC1=C(C=C(C=C1)C(F)(F)F)Cl

InChI

InChI=1S/C12H13ClF3NO2/c1-7(2)5-11(18)19-17-10-4-3-8(6-9(10)13)12(14,15)16/h3-4,6-7,17H,5H2,1-2H3