(2Z)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C17H16BrN3O MolecularWeight: 358.23244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=C(NN=C1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O/c1-17(2,3)16(22)12(9-19)8-13-10-20-21-15(13)11-4-6-14(18)7-5-11/h4-8,10H,1-3H3,(H,20,21)/b12-8-