cyanomethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: cyanomethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: cyanomethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid cyanomethyl ester Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC#N

InChI

InChI=1S/C14H13N3O2/c1-10-13(14(18)19-9-8-15)11(2)17(16-10)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3