[(1R)-2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [(1R)-2-keto-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C20H13F3N2O6 MolecularWeight: 434.32223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H13F3N2O6/c21-20(22,23)13-7-4-8-14(11-13)24-18(26)17(12-5-2-1-3-6-12)31-19(27)15-9-10-16(30-15)25(28)29/h1-11,17H,(H,24,26)/t17-/m1/s1