3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)-4-pyrazolyl]-2-propenoate IUPAC Name: 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]acrylate Formula: C15H11FN3O2- MolecularWeight: 284.265143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=CC(=O)[O-])CCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=CC(=O)[O-])CCC#N)F

InChI

InChI=1S/C15H12FN3O2/c16-13-5-2-11(3-6-13)15-12(4-7-14(20)21)10-19(18-15)9-1-8-17/h2-7,10H,1,9H2,(H,20,21)/p-1