2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)propanedinitrile

Systemtic Name: 2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)propanedinitrile Openeye Name: 2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)propanedinitrile CAS Name: 2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)propanedinitrile IUPAC Name: 2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)propanedinitrile Traditional Name: 2-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)malononitrile Formula: C13H8N4O MolecularWeight: 236.22882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C#N)C#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1=C(C#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H8N4O/c1-9-12(10(7-14)8-15)13(18)17(16-9)11-5-3-2-4-6-11/h2-6H,1H3