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

Systemtic Name: 6-[4-chloranyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-fluoranyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-fluoro-4H-1,4-benzoxazin-3-one CAS Name: 6-[4-chloro-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-7-fluoro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-fluoro-4H-1,4-benzoxazin-3-one Traditional Name: 6-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-7-fluoro-4H-1,4-benzoxazin-3-one Formula: C13H8ClF4N3O2 MolecularWeight: 349.668133

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC3=C(C=C2F)OCC(=O)N3)Cl)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC3=C(C=C2F)OCC(=O)N3)Cl)C(F)(F)F

InChI

InChI=1S/C13H8ClF4N3O2/c1-21-12(13(16,17)18)10(14)11(20-21)5-2-7-8(3-6(5)15)23-4-9(22)19-7/h2-3H,4H2,1H3,(H,19,22)