4-[(2,5-dimethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(2,5-dimethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)benzonitrile CAS Name: 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]benzonitrile IUPAC Name: 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)benzonitrile Traditional Name: 4-(5-keto-1,3-dimethyl-3-pyrazoline-4-carbonyl)benzonitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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