ethyl (2R,4R)-1-[4-nitro-3-(trifluoromethyl)phenyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2R,4R)-1-[4-nitro-3-(trifluoromethyl)phenyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate CAS Name: (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate Traditional Name: (2R,4R)-4-hydroxy-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C14H15F3N2O5 MolecularWeight: 348.27451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CN1C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CCOC(=O)[C@H]1C[C@H](CN1C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C14H15F3N2O5/c1-2-24-13(21)12-6-9(20)7-18(12)8-3-4-11(19(22)23)10(5-8)14(15,16)17/h3-5,9,12,20H,2,6-7H2,1H3/t9-,12-/m1/s1