2-[[2-cyano-4-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name: 2-[[2-cyano-4-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 2-[2-cyano-4-(trifluoromethyl)anilino]butanoic acid CAS Name: 2-[2-cyano-4-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 2-[2-cyano-4-(trifluoromethyl)anilino]butanoic acid Traditional Name: 2-[2-cyano-4-(trifluoromethyl)anilino]butyric acid Formula: C12H11F3N2O2 MolecularWeight: 272.22315

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)C#N

Isomeric SMILES

CCC(C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)C#N

InChI

InChI=1S/C12H11F3N2O2/c1-2-9(11(18)19)17-10-4-3-8(12(13,14)15)5-7(10)6-16/h3-5,9,17H,2H2,1H3,(H,18,19)