tert-butyl (2S)-2-cyano-2-[N-(2-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]-5-phenyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-cyano-2-[N-(2-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]-5-phenyl-pentanoate Openeye Name: tert-butyl (2S)-2-cyano-2-[N-(2-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]-5-phenyl-pentanoate CAS Name: (2S)-2-cyano-5-phenyl-2-[2,2,2-trifluoro-1-(2-nitrophenyl)iminoethyl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-cyano-2-[N-(2-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]-5-phenylpentanoate Traditional Name: (2S)-2-cyano-2-[N-(2-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]-5-phenyl-valeric acid tert-butyl ester Formula: C24H24F3N3O4 MolecularWeight: 475.46027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCC1=CC=CC=C1)(C#N)C(=NC2=CC=CC=C2[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@](CCCC1=CC=CC=C1)(C#N)C(=NC2=CC=CC=C2[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C24H24F3N3O4/c1-22(2,3)34-21(31)23(16-28,15-9-12-17-10-5-4-6-11-17)20(24(25,26)27)29-18-13-7-8-14-19(18)30(32)33/h4-8,10-11,13-14H,9,12,15H2,1-3H3/t23-/m1/s1