cyanomethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: cyanomethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: cyanomethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid cyanomethyl ester Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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