5-[4-nitro-2-(trifluoromethyl)phenyl]pent-4-yn-1-ol

Systemtic Name: 5-[4-nitro-2-(trifluoromethyl)phenyl]pent-4-yn-1-ol Openeye Name: 5-[4-nitro-2-(trifluoromethyl)phenyl]pent-4-yn-1-ol CAS Name: 5-[4-nitro-2-(trifluoromethyl)phenyl]-4-pentyn-1-ol IUPAC Name: 5-[4-nitro-2-(trifluoromethyl)phenyl]pent-4-yn-1-ol Traditional Name: 5-[4-nitro-2-(trifluoromethyl)phenyl]pent-4-yn-1-ol Formula: C12H10F3NO3 MolecularWeight: 273.20791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3NO3/c13-12(14,15)11-8-10(16(18)19)6-5-9(11)4-2-1-3-7-17/h5-6,8,17H,1,3,7H2