5-(3-chloranylphenoxy)-1,3-dimethyl-pyrazole-4-carbonitrile

Systemtic Name: 5-(3-chloranylphenoxy)-1,3-dimethyl-pyrazole-4-carbonitrile Openeye Name: 5-(3-chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbonitrile CAS Name: 5-(3-chlorophenoxy)-1,3-dimethyl-4-pyrazolecarbonitrile IUPAC Name: 5-(3-chlorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile Traditional Name: 5-(3-chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbonitrile Formula: C12H10ClN3O MolecularWeight: 247.6803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)OC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C#N)OC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C12H10ClN3O/c1-8-11(7-14)12(16(2)15-8)17-10-5-3-4-9(13)6-10/h3-6H,1-2H3