[(2S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C17H14F3N3O5 MolecularWeight: 397.30537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H14F3N3O5/c1-9(15(24)22-11-4-2-10(3-5-11)17(18,19)20)28-16(25)13-7-6-12(23(26)27)8-14(13)21/h2-9H,21H2,1H3,(H,22,24)/t9-/m0/s1