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

Systemtic Name: 4-(2-cyclopropylethynyl)-6-ethanoyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-acetyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-acetyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-acetyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-acetyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C16H12F3NO3 MolecularWeight: 323.26659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3NO3/c1-9(21)11-4-5-13-12(8-11)15(16(17,18)19,23-14(22)20-13)7-6-10-2-3-10/h4-5,8,10H,2-3H2,1H3,(H,20,22)