(E)-5-[(3-aminophenyl)-(trifluoromethyl)amino]pent-2-enoic acid

Systemtic Name: (E)-5-[(3-aminophenyl)-(trifluoromethyl)amino]pent-2-enoic acid Openeye Name: (E)-5-[3-amino-N-(trifluoromethyl)anilino]pent-2-enoic acid CAS Name: (E)-5-[3-amino-N-(trifluoromethyl)anilino]-2-pentenoic acid IUPAC Name: (E)-5-[3-amino-N-(trifluoromethyl)anilino]pent-2-enoic acid Traditional Name: (E)-5-[3-amino-N-(trifluoromethyl)anilino]pent-2-enoic acid Formula: C12H13F3N2O2 MolecularWeight: 274.23903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CCC=CC(=O)O)C(F)(F)F)N

Isomeric SMILES

C1=CC(=CC(=C1)N(CC/C=C/C(=O)O)C(F)(F)F)N

InChI

InChI=1S/C12H13F3N2O2/c13-12(14,15)17(7-2-1-6-11(18)19)10-5-3-4-9(16)8-10/h1,3-6,8H,2,7,16H2,(H,18,19)/b6-1+