4-oxidanylidene-4-phenylazanyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-phenylazanyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]butanoic acid Openeye Name: 4-anilino-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid CAS Name: 4-anilino-4-oxo-3-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid IUPAC Name: 4-anilino-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid Traditional Name: 4-anilino-4-keto-3-[(2,2,2-trifluoroacetyl)amino]butyric acid Formula: C12H11F3N2O4 MolecularWeight: 304.22195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H11F3N2O4/c13-12(14,15)11(21)17-8(6-9(18)19)10(20)16-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,16,20)(H,17,21)(H,18,19)