[(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C17H14F3N3O5 MolecularWeight: 397.30537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O5/c1-9(15(24)22-11-4-2-3-10(7-11)17(18,19)20)28-16(25)13-8-12(23(26)27)5-6-14(13)21/h2-9H,21H2,1H3,(H,22,24)/t9-/m1/s1