butyl 2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: butyl 2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: butyl 2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: 2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid butyl ester IUPAC Name: butyl 2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: 2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid butyl ester Formula: C13H15F6NO2 MolecularWeight: 331.254119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1C2CC(C1(C(F)(F)F)C(F)(F)F)C=C2

Isomeric SMILES

CCCCOC(=O)N1C2CC(C1(C(F)(F)F)C(F)(F)F)C=C2

InChI

InChI=1S/C13H15F6NO2/c1-2-3-6-22-10(21)20-9-5-4-8(7-9)11(20,12(14,15)16)13(17,18)19/h4-5,8-9H,2-3,6-7H2,1H3