3-(3-ethyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenecarbonitrile

Systemtic Name: 3-(3-ethyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenecarbonitrile Openeye Name: 3-(3-ethyl-5-oxo-4H-pyrazol-1-yl)benzonitrile CAS Name: 3-(3-ethyl-5-oxo-4H-pyrazol-1-yl)benzonitrile IUPAC Name: 3-(3-ethyl-5-oxo-4H-pyrazol-1-yl)benzonitrile Traditional Name: 3-(3-ethyl-5-keto-2-pyrazolin-1-yl)benzonitrile Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC1=NN(C(=O)C1)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H11N3O/c1-2-10-7-12(16)15(14-10)11-5-3-4-9(6-11)8-13/h3-6H,2,7H2,1H3