2-(2-methyl-2-phenyl-propyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-pent-3-ynamide

Systemtic Name: 2-(2-methyl-2-phenyl-propyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-pent-3-ynamide Openeye Name: 2-hydroxy-2-(2-methyl-2-phenyl-propyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]pent-3-ynamide CAS Name: 2-hydroxy-2-(2-methyl-2-phenylpropyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-pentynamide IUPAC Name: 2-hydroxy-2-(2-methyl-2-phenylpropyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]pent-3-ynamide Traditional Name: 2-hydroxy-2-neophyl-N-[4-nitro-3-(trifluoromethyl)phenyl]pent-3-ynamide Formula: C22H21F3N2O4 MolecularWeight: 434.40835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O4/c1-4-12-21(29,14-20(2,3)15-8-6-5-7-9-15)19(28)26-16-10-11-18(27(30)31)17(13-16)22(23,24)25/h5-11,13,29H,14H2,1-3H3,(H,26,28)