3-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)propanenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CCC#N)C2=CC=CC=C2

Isomeric SMILES

C1C(=NN(C1=O)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C12H11N3O/c13-7-4-8-15-12(16)9-11(14-15)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2