(4-nitrophenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: (4-nitrophenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: (4-nitrophenyl) 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid (4-nitrophenyl) ester Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O6S/c1-7-11(8(2)18-12-7)20(16,17)19-10-5-3-9(4-6-10)13(14)15/h3-6H,1-2H3