(4S)-4-(2-cyclopropylethynyl)-6-methyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: (4S)-4-(2-cyclopropylethynyl)-6-methyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: (4S)-4-(2-cyclopropylethynyl)-6-methyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: (4S)-4-(2-cyclopropylethynyl)-6-methyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: (4S)-4-(2-cyclopropylethynyl)-6-methyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: (4S)-4-(2-cyclopropylethynyl)-6-methyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C15H12F3NO2 MolecularWeight: 295.25649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)OC2(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)O[C@]2(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C15H12F3NO2/c1-9-2-5-12-11(8-9)14(15(16,17)18,21-13(20)19-12)7-6-10-3-4-10/h2,5,8,10H,3-4H2,1H3,(H,19,20)/t14-/m0/s1