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

Systemtic Name: 6-[5-chloranyl-6-(trifluoromethyl)pyrimidin-4-yl]-7-fluoranyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-7-fluoro-4H-1,4-benzoxazin-3-one CAS Name: 6-[5-chloro-6-(trifluoromethyl)-4-pyrimidinyl]-7-fluoro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-7-fluoro-4H-1,4-benzoxazin-3-one Traditional Name: 6-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-7-fluoro-4H-1,4-benzoxazin-3-one Formula: C13H6ClF4N3O2 MolecularWeight: 347.652253

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=C(C(=C2)C3=C(C(=NC=N3)C(F)(F)F)Cl)F

Isomeric SMILES

C1C(=O)NC2=C(O1)C=C(C(=C2)C3=C(C(=NC=N3)C(F)(F)F)Cl)F

InChI

InChI=1S/C13H6ClF4N3O2/c14-10-11(19-4-20-12(10)13(16,17)18)5-1-7-8(2-6(5)15)23-3-9(22)21-7/h1-2,4H,3H2,(H,21,22)