3-(4-chlorophenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one

Systemtic Name: 3-(4-chlorophenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one Openeye Name: 3-(4-chlorobenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one IUPAC Name: 3-(4-chlorobenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one Traditional Name: 3-(4-chlorobenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one Formula: C22H13ClF3NO3 MolecularWeight: 431.79173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(O2)C3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(O2)C3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H13ClF3NO3/c23-16-11-7-13(8-12-16)19(28)27-20(29)17-3-1-2-4-18(17)30-21(27)14-5-9-15(10-6-14)22(24,25)26/h1-12,21H