2-[3-(2-bromophenyl)-4-methyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 2-[3-(2-bromophenyl)-4-methyl-pyrazol-1-yl]propanoic acid Openeye Name: 2-[3-(2-bromophenyl)-4-methyl-pyrazol-1-yl]propanoic acid CAS Name: 2-[3-(2-bromophenyl)-4-methyl-1-pyrazolyl]propanoic acid IUPAC Name: 2-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]propanoic acid Traditional Name: 2-[3-(2-bromophenyl)-4-methyl-pyrazol-1-yl]propionic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C2=CC=CC=C2Br)C(C)C(=O)O

Isomeric SMILES

CC1=CN(N=C1C2=CC=CC=C2Br)C(C)C(=O)O

InChI

InChI=1S/C13H13BrN2O2/c1-8-7-16(9(2)13(17)18)15-12(8)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H,17,18)