(5-fluoranyl-2-nitro-phenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C11H9FN2O6S MolecularWeight: 316.262363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C11H9FN2O6S/c1-6-11(7(2)19-13-6)21(17,18)20-10-5-8(12)3-4-9(10)14(15)16/h3-5H,1-2H3