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

Systemtic Name: 2-[(2-iodanylphenyl)-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(2-iodophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(2-iodophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(2-iodophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(2-iodophenyl)-(3-keto-5-methyl-2-pyrazolin-4-yl)methyl]malononitrile Formula: C14H11IN4O MolecularWeight: 378.16781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C(C2=CC=CC=C2I)C(C#N)C#N

Isomeric SMILES

CC1=NNC(=O)C1C(C2=CC=CC=C2I)C(C#N)C#N

InChI

InChI=1S/C14H11IN4O/c1-8-12(14(20)19-18-8)13(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12-13H,1H3,(H,19,20)