(E)-3-(4-bromanyl-2-pyrazol-1-yl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-bromanyl-2-pyrazol-1-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-bromo-2-pyrazol-1-yl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-bromo-2-pyrazol-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-bromo-2-pyrazol-1-yl-phenyl)acrylic acid Formula: C12H9BrN2O2 MolecularWeight: 293.11606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C12H9BrN2O2/c13-10-4-2-9(3-5-12(16)17)11(8-10)15-7-1-6-14-15/h1-8H,(H,16,17)/b5-3+