3-oxidanylidene-3-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)propanenitrile

Systemtic Name: 3-oxidanylidene-3-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)propanenitrile Openeye Name: 3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile CAS Name: 3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile IUPAC Name: 3-oxo-3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile Traditional Name: 3-keto-3-(5-keto-3-phenyl-2-pyrazolin-1-yl)propionitrile Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O2/c13-7-6-11(16)15-12(17)8-10(14-15)9-4-2-1-3-5-9/h1-5H,6,8H2