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

Systemtic Name: 1-[2-(2-chloranyl-4-methyl-phenyl)ethynyl]-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Openeye Name: 1-[2-(2-chloro-4-methyl-phenyl)ethynyl]-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one CAS Name: 1-[2-(2-chloro-4-methylphenyl)ethynyl]-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[2-(2-chloro-4-methylphenyl)ethynyl]-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Traditional Name: 1-[2-(2-chloro-4-methyl-phenyl)ethynyl]-4-(trifluoromethyl)-4H-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#CN2C3=CC=CC=C3C(OC2=O)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C#CN2C3=CC=CC=C3C(OC2=O)C(F)(F)F)Cl

InChI

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