4-ethanoyl-3-oxidanylidene-2-phenyl-1H-pyrazole-5-carbonitrile

Systemtic Name: 4-ethanoyl-3-oxidanylidene-2-phenyl-1H-pyrazole-5-carbonitrile Openeye Name: 4-acetyl-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile CAS Name: 4-acetyl-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile IUPAC Name: 4-acetyl-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile Traditional Name: 4-acetyl-5-keto-1-phenyl-3-pyrazoline-3-carbonitrile Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O2/c1-8(16)11-10(7-13)14-15(12(11)17)9-5-3-2-4-6-9/h2-6,14H,1H3