5-but-1-ynyl-7-chloranyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 5-but-1-ynyl-7-chloranyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 5-but-1-ynyl-7-chloro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 5-but-1-ynyl-7-chloro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 5-but-1-ynyl-7-chloro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 5-but-1-ynyl-7-chloro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C14H11ClF3NO2 MolecularWeight: 317.69085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(C2=C(C=CC(=C2)Cl)NC(=O)CO1)C(F)(F)F

Isomeric SMILES

CCC#CC1(C2=C(C=CC(=C2)Cl)NC(=O)CO1)C(F)(F)F

InChI

InChI=1S/C14H11ClF3NO2/c1-2-3-6-13(14(16,17)18)10-7-9(15)4-5-11(10)19-12(20)8-21-13/h4-5,7H,2,8H2,1H3,(H,19,20)