4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-4-phenyl-2-(2-phenylethynyl)pentanamide

Systemtic Name: 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-4-phenyl-2-(2-phenylethynyl)pentanamide Openeye Name: 2-hydroxy-4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(2-phenylethynyl)pentanamide CAS Name: 2-hydroxy-4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(2-phenylethynyl)pentanamide IUPAC Name: 2-hydroxy-4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-2-(2-phenylethynyl)pentanamide Traditional Name: 2-hydroxy-2-neophyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenyl-but-3-ynamide Formula: C27H23F3N2O4 MolecularWeight: 496.47773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C#CC1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CC(C#CC1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O)C3=CC=CC=C3

InChI

InChI=1S/C27H23F3N2O4/c1-25(2,20-11-7-4-8-12-20)18-26(34,16-15-19-9-5-3-6-10-19)24(33)31-21-13-14-23(32(35)36)22(17-21)27(28,29)30/h3-14,17,34H,18H2,1-2H3,(H,31,33)