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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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