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

Systemtic Name: 6-chloranyl-4-(2-pyridin-4-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-chloro-4-[2-(4-pyridyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-chloro-4-(2-pyridin-4-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-chloro-4-(2-pyridin-4-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-chloro-4-[2-(4-pyridyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C16H8ClF3N2O2 MolecularWeight: 352.69513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(OC(=O)N2)(C#CC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(OC(=O)N2)(C#CC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C16H8ClF3N2O2/c17-11-1-2-13-12(9-11)15(16(18,19)20,24-14(23)22-13)6-3-10-4-7-21-8-5-10/h1-2,4-5,7-9H,(H,22,23)