3-ethanoyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-ethanoyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-acetyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-acetyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-acetyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-acetyl-1-phenyl-pyrazole-4-carbonitrile Formula: C12H9N3O MolecularWeight: 211.21936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=NN(C=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C12H9N3O/c1-9(16)12-10(7-13)8-15(14-12)11-5-3-2-4-6-11/h2-6,8H,1H3