4-(4-ethanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenecarbonitrile

Systemtic Name: 4-(4-ethanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenecarbonitrile Openeye Name: 4-(4-acetyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzonitrile CAS Name: 4-(4-acetyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzonitrile IUPAC Name: 4-(4-acetyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzonitrile Traditional Name: 4-(4-acetyl-5-keto-3-methyl-3-pyrazolin-1-yl)benzonitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C#N)C(=O)C

InChI

InChI=1S/C13H11N3O2/c1-8-12(9(2)17)13(18)16(15-8)11-5-3-10(7-14)4-6-11/h3-6,15H,1-2H3