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

Systemtic Name: 2-[(4-ethylphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(4-ethylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(4-ethylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(4-ethylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(4-ethylphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C(C#N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C(C#N)C#N

InChI

InChI=1S/C16H16N4O/c1-3-11-4-6-12(7-5-11)15(13(8-17)9-18)14-10(2)19-20-16(14)21/h4-7,13,15H,3H2,1-2H3,(H2,19,20,21)