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

Systemtic Name: [(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-phenoxybenzoate Openeye Name: [(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic acid [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid [(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C23H17F3N2O6 MolecularWeight: 474.38609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C23H17F3N2O6/c1-14(21(29)27-19-12-11-15(28(31)32)13-18(19)23(24,25)26)33-22(30)17-9-5-6-10-20(17)34-16-7-3-2-4-8-16/h2-14H,1H3,(H,27,29)/t14-/m1/s1