cyanomethyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C16H14FN3O2 MolecularWeight: 299.299663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN3O2/c1-11-15(7-8-16(21)22-10-9-18)12(2)20(19-11)14-5-3-13(17)4-6-14/h3-8H,10H2,1-2H3/b8-7+