(2E)-2-[[1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[1-(4-chlorophenyl)pyrazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[1-(4-chlorophenyl)-4-pyrazolyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[1-(4-chlorophenyl)pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[1-(4-chlorophenyl)pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C17H16ClN3O MolecularWeight: 313.78144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CN(N=C1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CN(N=C1)C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C17H16ClN3O/c1-17(2,3)16(22)13(9-19)8-12-10-20-21(11-12)15-6-4-14(18)5-7-15/h4-8,10-11H,1-3H3/b13-8+