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

Systemtic Name: 2-[(4-bromophenyl)-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(4-bromophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(4-bromophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(4-bromophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(4-bromophenyl)-(3-keto-5-methyl-2-pyrazolin-4-yl)methyl]malononitrile Formula: C14H11BrN4O MolecularWeight: 331.16734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN4O/c1-8-12(14(20)19-18-8)13(10(6-16)7-17)9-2-4-11(15)5-3-9/h2-5,10,12-13H,1H3,(H,19,20)