[(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-nitrobenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-nitrobenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1R)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C17H13F3N2O5 MolecularWeight: 382.29073

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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=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O5/c1-10(27-16(24)11-3-2-4-14(9-11)22(25)26)15(23)21-13-7-5-12(6-8-13)17(18,19)20/h2-10H,1H3,(H,21,23)/t10-/m1/s1