(Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-acrylate Formula: C13H7BrN3O2- MolecularWeight: 317.11758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C=C(C#N)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)/C=C(/C#N)\C(=O)[O-])Br

InChI

InChI=1S/C13H8BrN3O2/c14-11-3-1-8(2-4-11)12-10(7-16-17-12)5-9(6-15)13(18)19/h1-5,7H,(H,16,17)(H,18,19)/p-1/b9-5-