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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

InChI

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