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

Systemtic Name: 3-[5-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoic acid Openeye Name: 3-[5-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: 3-[5-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid IUPAC Name: 3-[5-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: 3-[5-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-acrylic acid Formula: C13H8BrN3O2 MolecularWeight: 318.12552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=C(C=NN2)C=C(C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=C(C=NN2)C=C(C#N)C(=O)O

InChI

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