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

Systemtic Name: (2E)-2-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-pivaloyl-acrylonitrile Formula: C19H20ClN3O MolecularWeight: 341.8346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)C(C)(C)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)C(C)(C)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C19H20ClN3O/c1-13-16(10-15(11-21)17(24)19(2,3)4)18(20)23(22-13)12-14-8-6-5-7-9-14/h5-10H,12H2,1-4H3/b15-10+