tert-butyl (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C16H18F3N3O6 MolecularWeight: 405.32583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18F3N3O6/c1-15(2,3)28-14(23)11-5-4-6-20(11)13-10(16(17,18)19)7-9(21(24)25)8-12(13)22(26)27/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1