2-azanyl-3-[3-(carboxymethyloxy)-5-(trifluoromethyl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(carboxymethyloxy)-5-(trifluoromethyl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[3-(carboxymethyloxy)-5-(trifluoromethyl)isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-(carboxymethyloxy)-5-(trifluoromethyl)-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[3-(carboxymethyloxy)-5-(trifluoromethyl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-(carboxymethyloxy)-5-(trifluoromethyl)isoxazol-4-yl]propionic acid Formula: C9H9F3N2O6 MolecularWeight: 298.17277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(ON=C1OCC(=O)O)C(F)(F)F)C(C(=O)O)N

Isomeric SMILES

C(C1=C(ON=C1OCC(=O)O)C(F)(F)F)C(C(=O)O)N

InChI

InChI=1S/C9H9F3N2O6/c10-9(11,12)6-3(1-4(13)8(17)18)7(14-20-6)19-2-5(15)16/h4H,1-2,13H2,(H,15,16)(H,17,18)