5-fluoranyl-1-(4-methylpent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one

Systemtic Name: 5-fluoranyl-1-(4-methylpent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Openeye Name: 5-fluoro-1-(4-methylpent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one CAS Name: 5-fluoro-1-(4-methylpent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one IUPAC Name: 5-fluoro-1-(4-methylpent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Traditional Name: 5-fluoro-1-(4-methylpent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Formula: C15H13F4NO2 MolecularWeight: 315.262833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC#CN1C2=C(C(OC1=O)C(F)(F)F)C(=CC=C2)F

Isomeric SMILES

CC(C)CC#CN1C2=C(C(OC1=O)C(F)(F)F)C(=CC=C2)F

InChI

InChI=1S/C15H13F4NO2/c1-9(2)5-4-8-20-11-7-3-6-10(16)12(11)13(15(17,18)19)22-14(20)21/h3,6-7,9,13H,5H2,1-2H3