cyanomethyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: cyanomethyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: cyanomethyl 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid cyanomethyl ester Formula: C13H10ClN3O2 MolecularWeight: 275.6904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O2/c1-9-11(13(18)19-8-7-15)12(14)17(16-9)10-5-3-2-4-6-10/h2-6H,8H2,1H3