ethyl (2S,4S,5S)-4-nitro-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,4S,5S)-4-nitro-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,4S,5S)-4-nitro-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S,5S)-4-nitro-5-[4-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S,5S)-4-nitro-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S,5S)-4-nitro-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C14H15F3N2O4 MolecularWeight: 332.27511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(N1)C2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H]([C@@H](N1)C2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H15F3N2O4/c1-2-23-13(20)10-7-11(19(21)22)12(18-10)8-3-5-9(6-4-8)14(15,16)17/h3-6,10-12,18H,2,7H2,1H3/t10-,11-,12-/m0/s1