3-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzenecarbonitrile

Systemtic Name: 3-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzenecarbonitrile Openeye Name: 3-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzonitrile CAS Name: 3-[[4-(chloromethyl)-2,5-dimethyl-3-pyrazolyl]oxy]benzonitrile IUPAC Name: 3-[4-(chloromethyl)-2,5-dimethylpyrazol-3-yl]oxybenzonitrile Traditional Name: 3-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzonitrile Formula: C13H12ClN3O MolecularWeight: 261.70688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCl)OC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=NN(C(=C1CCl)OC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C13H12ClN3O/c1-9-12(7-14)13(17(2)16-9)18-11-5-3-4-10(6-11)8-15/h3-6H,7H2,1-2H3