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

Systemtic Name: 2-(cyclohexylmethyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-pent-3-ynamide Openeye Name: 2-(cyclohexylmethyl)-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]pent-3-ynamide CAS Name: 2-(cyclohexylmethyl)-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-pentynamide IUPAC Name: 2-(cyclohexylmethyl)-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]pent-3-ynamide Traditional Name: 2-(cyclohexylmethyl)-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]pent-3-ynamide Formula: C19H21F3N2O4 MolecularWeight: 398.37625

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CC1CCCCC1)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC#CC(CC1CCCCC1)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C19H21F3N2O4/c1-2-10-18(26,12-13-6-4-3-5-7-13)17(25)23-14-8-9-16(24(27)28)15(11-14)19(20,21)22/h8-9,11,13,26H,3-7,12H2,1H3,(H,23,25)