6-chloranyl-4-[2-(2-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-chloranyl-4-[2-(2-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-chloro-4-[2-(2-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-chloro-4-[2-(2-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-chloro-4-[2-(2-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-chloro-4-[2-(2-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C18H11ClF3NO3 MolecularWeight: 381.73305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

InChI

InChI=1S/C18H11ClF3NO3/c1-25-15-5-3-2-4-11(15)8-9-17(18(20,21)22)13-10-12(19)6-7-14(13)23-16(24)26-17/h2-7,10H,1H3,(H,23,24)