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

Systemtic Name: (2E)-4,4-dimethyl-2-[(1-methylpyrazol-3-yl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-2-[(1-methylpyrazol-3-yl)methylene]-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[(1-methyl-3-pyrazolyl)methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[(1-methylpyrazol-3-yl)methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-(1-methylpyrazol-3-yl)-2-pivaloyl-acrylonitrile Formula: C12H15N3O MolecularWeight: 217.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=NN(C=C1)C)/C#N

InChI

InChI=1S/C12H15N3O/c1-12(2,3)11(16)9(8-13)7-10-5-6-15(4)14-10/h5-7H,1-4H3/b9-7+