(2E)-2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-pivaloyl-acrylonitrile Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)C(C)(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)C(C)(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H18ClN3O/c1-12-15(10-13(11-20)16(23)18(2,3)4)17(19)22(21-12)14-8-6-5-7-9-14/h5-10H,1-4H3/b13-10+