2-[3-(4-methylphenyl)carbonyl-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]propanedinitrile

Systemtic Name: 2-[3-(4-methylphenyl)carbonyl-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]propanedinitrile Openeye Name: 2-[4-hydroxy-3-(4-methylbenzoyl)-5-oxo-1-phenyl-pyrazol-4-yl]propanedinitrile CAS Name: 2-[4-hydroxy-3-[(4-methylphenyl)-oxomethyl]-5-oxo-1-phenyl-4-pyrazolyl]propanedinitrile IUPAC Name: 2-[4-hydroxy-3-(4-methylbenzoyl)-5-oxo-1-phenylpyrazol-4-yl]propanedinitrile Traditional Name: 2-(4-hydroxy-5-keto-1-phenyl-3-p-toluoyl-2-pyrazolin-4-yl)malononitrile Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=NN(C(=O)C2(C(C#N)C#N)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=NN(C(=O)C2(C(C#N)C#N)O)C3=CC=CC=C3

InChI

InChI=1S/C20H14N4O3/c1-13-7-9-14(10-8-13)17(25)18-20(27,15(11-21)12-22)19(26)24(23-18)16-5-3-2-4-6-16/h2-10,15,27H,1H3