6-fluoranyl-4-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-fluoranyl-4-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-fluoro-4-[2-(2-pyridyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-fluoro-4-[2-(2-pyridinyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-fluoro-4-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-fluoro-4-[2-(2-pyridyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C16H8F4N2O2 MolecularWeight: 336.240533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2(C3=C(C=CC(=C3)F)NC(=O)O2)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C#CC2(C3=C(C=CC(=C3)F)NC(=O)O2)C(F)(F)F

InChI

InChI=1S/C16H8F4N2O2/c17-10-4-5-13-12(9-10)15(16(18,19)20,24-14(23)22-13)7-6-11-3-1-2-8-21-11/h1-5,8-9H,(H,22,23)