6-[5-chloranyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-7-fluoranyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[5-chloranyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-7-fluoranyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-chloro-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-7-fluoro-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-chloro-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-7-fluoro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-chloro-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-7-fluoro-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-chloro-6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-7-fluoro-4H-1,4-benzoxazin-3-one Formula: C13H6ClF4N3O3 MolecularWeight: 363.651653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=C(C(=C2)N3C=NC(=C(C3=O)Cl)C(F)(F)F)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=C(C(=C2)N3C=NC(=C(C3=O)Cl)C(F)(F)F)F

InChI

InChI=1S/C13H6ClF4N3O3/c14-10-11(13(16,17)18)19-4-21(12(10)23)7-2-6-8(1-5(7)15)24-3-9(22)20-6/h1-2,4H,3H2,(H,20,22)