2-[(5-oxidanylidene-3-phenyl-1,4-dihydropyrazol-4-yl)methylidene]propanedinitrile

Systemtic Name: 2-[(5-oxidanylidene-3-phenyl-1,4-dihydropyrazol-4-yl)methylidene]propanedinitrile Openeye Name: 2-[(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)methylene]propanedinitrile CAS Name: 2-[(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)methylidene]propanedinitrile IUPAC Name: 2-[(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)methylidene]propanedinitrile Traditional Name: 2-[(3-keto-5-phenyl-2-pyrazolin-4-yl)methylene]malononitrile Formula: C13H8N4O MolecularWeight: 236.22882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=O)C2C=C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=O)C2C=C(C#N)C#N

InChI

InChI=1S/C13H8N4O/c14-7-9(8-15)6-11-12(16-17-13(11)18)10-4-2-1-3-5-10/h1-6,11H,(H,17,18)