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

Systemtic Name: [(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-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] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O5/c1-10-6-7-12(8-15(10)23(26)27)17(25)28-11(2)16(24)22-14-5-3-4-13(9-14)18(19,20)21/h3-9,11H,1-2H3,(H,22,24)/t11-/m1/s1