(2E)-4,4-dimethyl-3-oxidanylidene-2-[(2-phenylmethoxyphenyl)methylidene]pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-3-oxidanylidene-2-[(2-phenylmethoxyphenyl)methylidene]pentanenitrile Openeye Name: (2E)-2-[(2-benzyloxyphenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-3-oxo-2-[(2-phenylmethoxyphenyl)methylidene]pentanenitrile IUPAC Name: (2E)-4,4-dimethyl-3-oxo-2-[(2-phenylmethoxyphenyl)methylidene]pentanenitrile Traditional Name: (E)-3-(2-benzoxyphenyl)-2-pivaloyl-acrylonitrile Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=CC=C1OCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=CC=C1OCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H21NO2/c1-21(2,3)20(23)18(14-22)13-17-11-7-8-12-19(17)24-15-16-9-5-4-6-10-16/h4-13H,15H2,1-3H3/b18-13+