N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide Openeye Name: N-[(1E)-1-[cyano-[3-(trifluoromethyl)phenyl]methylene]-2,2-dimethyl-propyl]-1,3-dioxo-isobenzofuran-5-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1,3-dioxo-5-isobenzofurancarboxamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-1,3-dioxo-2-benzofuran-5-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-[3-(trifluoromethyl)phenyl]vinyl]-1,3-diketo-phthalan-5-carboxamide Formula: C23H17F3N2O4 MolecularWeight: 442.38729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC3=C(C=C2)C(=O)OC3=O

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC(=CC=C1)C(F)(F)F)/NC(=O)C2=CC3=C(C=C2)C(=O)OC3=O

InChI

InChI=1S/C23H17F3N2O4/c1-22(2,3)18(17(11-27)12-5-4-6-14(9-12)23(24,25)26)28-19(29)13-7-8-15-16(10-13)21(31)32-20(15)30/h4-10H,1-3H3,(H,28,29)/b18-17-