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

Systemtic Name: 3-[5-(4-bromophenyl)-1,2-oxazol-3-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)isoxazol-3-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-3-isoxazolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1,2-oxazol-3-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)isoxazol-3-yl]propionic acid Formula: C12H10BrNO3 MolecularWeight: 296.1167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NO2)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NO2)CCC(=O)O)Br

InChI

InChI=1S/C12H10BrNO3/c13-9-3-1-8(2-4-9)11-7-10(14-17-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)