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

Systemtic Name: (2E)-4,4-dimethyl-3-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methylidene]pentanenitrile Openeye Name: (2E)-4,4-dimethyl-3-oxo-2-[(1-phenylpyrazol-4-yl)methylene]pentanenitrile CAS Name: (2E)-4,4-dimethyl-3-oxo-2-[(1-phenyl-4-pyrazolyl)methylidene]pentanenitrile IUPAC Name: (2E)-4,4-dimethyl-3-oxo-2-[(1-phenylpyrazol-4-yl)methylidene]pentanenitrile Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-2-pivaloyl-acrylonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O/c1-17(2,3)16(21)14(10-18)9-13-11-19-20(12-13)15-7-5-4-6-8-15/h4-9,11-12H,1-3H3/b14-9+