methyl 4-(2-aminophenyl)-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate

Systemtic Name: methyl 4-(2-aminophenyl)-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate Openeye Name: methyl 4-(2-aminophenyl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate CAS Name: 4-(2-aminophenyl)-4-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-(2-aminophenyl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate Traditional Name: 4-(2-aminophenyl)-4-keto-2-[(2,2,2-trifluoroacetyl)amino]butyric acid methyl ester Formula: C13H13F3N2O4 MolecularWeight: 318.24853

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)C1=CC=CC=C1N)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C(CC(=O)C1=CC=CC=C1N)NC(=O)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O4/c1-22-11(20)9(18-12(21)13(14,15)16)6-10(19)7-4-2-3-5-8(7)17/h2-5,9H,6,17H2,1H3,(H,18,21)