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

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-phenyl-methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenyl-methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-3-pyrazolin-4-yl)-phenyl-methyl]malononitrile Formula: C14H12N4O MolecularWeight: 252.27128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=CC=C2)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=CC=C2)C(C#N)C#N

InChI

InChI=1S/C14H12N4O/c1-9-12(14(19)18-17-9)13(11(7-15)8-16)10-5-3-2-4-6-10/h2-6,11,13H,1H3,(H2,17,18,19)