[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [(1S)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C19H16F3N3O4 MolecularWeight: 407.34325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C19H16F3N3O4/c1-10(17(27)25-9-16(26)24-14-4-2-3-5-15(14)25)29-18(28)12-7-6-11(8-13(12)23)19(20,21)22/h2-8,10H,9,23H2,1H3,(H,24,26)/t10-/m0/s1