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

Systemtic Name: 6-chloranyl-4-[2-(4-methylphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-chloro-4-[2-(p-tolyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-chloro-4-[2-(4-methylphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-chloro-4-[2-(4-methylphenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-chloro-4-[2-(p-tolyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C18H11ClF3NO2 MolecularWeight: 365.73365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

InChI

InChI=1S/C18H11ClF3NO2/c1-11-2-4-12(5-3-11)8-9-17(18(20,21)22)14-10-13(19)6-7-15(14)23-16(24)25-17/h2-7,10H,1H3,(H,23,24)