3-[4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-6-yl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-6-yl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-6-yl]-5-fluoro-benzonitrile CAS Name: 3-[4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-6-yl]-5-fluorobenzonitrile IUPAC Name: 3-[4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-6-yl]-5-fluorobenzonitrile Traditional Name: 3-[4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-6-yl]-5-fluoro-benzonitrile Formula: C18H14F4N2O MolecularWeight: 350.310173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)F)NC(O1)C(F)(F)F)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)F)NC(O1)C(F)(F)F)C

InChI

InChI=1S/C18H14F4N2O/c1-17(2)14-8-11(12-5-10(9-23)6-13(19)7-12)3-4-15(14)24-16(25-17)18(20,21)22/h3-8,16,24H,1-2H3