[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] (2R)-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-hydroxy-2-phenylacetic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-hydroxy-2-phenyl-acetic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O6/c18-17(19,20)12-8-11(22(26)27)6-7-13(12)21-14(23)9-28-16(25)15(24)10-4-2-1-3-5-10/h1-8,15,24H,9H2,(H,21,23)/t15-/m1/s1