4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyl]-3,1-benzoxazin-2-one

Systemtic Name: 4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyl]-3,1-benzoxazin-2-one Openeye Name: 4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)-3,1-benzoxazin-2-one CAS Name: 4-(2-cyclopropylethynyl)-1-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one IUPAC Name: 4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)-3,1-benzoxazin-2-one Traditional Name: 4-(2-cyclopropylethynyl)-1-(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)-4-(trifluoromethyl)-3,1-benzoxazin-2-one Formula: C24H22F3NO5 MolecularWeight: 461.43039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)N3C4=CC=CC=C4C(OC3=O)(C#CC5CC5)C(F)(F)F)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)N3C4=CC=CC=C4C(OC3=O)(C#CC5CC5)C(F)(F)F)C)C

InChI

InChI=1S/C24H22F3NO5/c1-20(2)21(3)12-13-23(20,32-18(21)30)17(29)28-16-7-5-4-6-15(16)22(24(25,26)27,33-19(28)31)11-10-14-8-9-14/h4-7,14H,8-9,12-13H2,1-3H3