4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate

Systemtic Name: 4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate Openeye Name: 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate CAS Name: 4-[3-(trifluoromethyl)-3-diazirinyl]benzoate IUPAC Name: 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate Traditional Name: 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate Formula: C9H4F3N2O2- MolecularWeight: 229.13547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C2(N=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])C2(N=N2)C(F)(F)F

InChI

InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)/p-1