5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[(2,6-dimethylphenoxy)methyl]isoxazole-3-carboxylic acid CAS Name: 5-[(2,6-dimethylphenoxy)methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[(2,6-dimethylphenoxy)methyl]isoxazole-3-carboxylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C13H13NO4/c1-8-4-3-5-9(2)12(8)17-7-10-6-11(13(15)16)14-18-10/h3-6H,7H2,1-2H3,(H,15,16)