3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-5-(trifluoromethyloxy)benzenecarbonitrile

Systemtic Name: 3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-5-(trifluoromethyloxy)benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-(trifluoromethoxy)benzonitrile CAS Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-(trifluoromethoxy)benzonitrile IUPAC Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-(trifluoromethoxy)benzonitrile Traditional Name: 3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-5-(trifluoromethoxy)benzonitrile Formula: C18H13F3N2O3 MolecularWeight: 362.30263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)OC(F)(F)F)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)OC(F)(F)F)NC(=O)O1)C

InChI

InChI=1S/C18H13F3N2O3/c1-17(2)14-8-11(3-4-15(14)23-16(24)26-17)12-5-10(9-22)6-13(7-12)25-18(19,20)21/h3-8H,1-2H3,(H,23,24)