5-ethanoyl-3,3-dimethyl-pyrazole-4-carbonitrile

Systemtic Name: 5-ethanoyl-3,3-dimethyl-pyrazole-4-carbonitrile Openeye Name: 5-acetyl-3,3-dimethyl-pyrazole-4-carbonitrile CAS Name: 5-acetyl-3,3-dimethyl-4-pyrazolecarbonitrile IUPAC Name: 5-acetyl-3,3-dimethylpyrazole-4-carbonitrile Traditional Name: 5-acetyl-3,3-dimethyl-pyrazole-4-carbonitrile Formula: C8H9N3O MolecularWeight: 163.17656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(N=N1)(C)C)C#N

Isomeric SMILES

CC(=O)C1=C(C(N=N1)(C)C)C#N

InChI

InChI=1S/C8H9N3O/c1-5(12)7-6(4-9)8(2,3)11-10-7/h1-3H3