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

Systemtic Name: 1-chloranyl-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one Openeye Name: 1-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one CAS Name: 1-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one IUPAC Name: 1-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one Traditional Name: 1-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-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=CC=CC=C3N(C(=O)O2)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C#CC2(C3=CC=CC=C3N(C(=O)O2)Cl)C(F)(F)F

InChI

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