2-[4-(1,3-benzoxazol-5-yl)-2-bromanyl-phenyl]propanoic acid

Systemtic Name: 2-[4-(1,3-benzoxazol-5-yl)-2-bromanyl-phenyl]propanoic acid Openeye Name: 2-[4-(1,3-benzoxazol-5-yl)-2-bromo-phenyl]propanoic acid CAS Name: 2-[4-(1,3-benzoxazol-5-yl)-2-bromophenyl]propanoic acid IUPAC Name: 2-[4-(1,3-benzoxazol-5-yl)-2-bromophenyl]propanoic acid Traditional Name: 2-[4-(1,3-benzoxazol-5-yl)-2-bromo-phenyl]propionic acid Formula: C16H12BrNO3 MolecularWeight: 346.17538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C2=CC3=C(C=C2)OC=N3)Br)C(=O)O

Isomeric SMILES

CC(C1=C(C=C(C=C1)C2=CC3=C(C=C2)OC=N3)Br)C(=O)O

InChI

InChI=1S/C16H12BrNO3/c1-9(16(19)20)12-4-2-10(6-13(12)17)11-3-5-15-14(7-11)18-8-21-15/h2-9H,1H3,(H,19,20)