3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(4-bromobenzyl)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NOC(=N2)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=NOC(=N2)CCC(=O)O)Br

InChI

InChI=1S/C12H11BrN2O3/c13-9-3-1-8(2-4-9)7-10-14-11(18-15-10)5-6-12(16)17/h1-4H,5-7H2,(H,16,17)