3-bromanyl-5-ethoxy-4-(1,2-oxazol-5-ylmethoxy)benzoic acid

Systemtic Name: 3-bromanyl-5-ethoxy-4-(1,2-oxazol-5-ylmethoxy)benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-(isoxazol-5-ylmethoxy)benzoic acid CAS Name: 3-bromo-5-ethoxy-4-(5-isoxazolylmethoxy)benzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-(1,2-oxazol-5-ylmethoxy)benzoic acid Traditional Name: 3-bromo-5-ethoxy-4-(isoxazol-5-ylmethoxy)benzoic acid Formula: C13H12BrNO5 MolecularWeight: 342.14208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=NO2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CC=NO2

InChI

InChI=1S/C13H12BrNO5/c1-2-18-11-6-8(13(16)17)5-10(14)12(11)19-7-9-3-4-15-20-9/h3-6H,2,7H2,1H3,(H,16,17)