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

Systemtic Name: (2-methoxy-5-nitro-phenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: (2-methoxy-5-nitro-phenyl) 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid (2-methoxy-5-nitro-phenyl) ester Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7S/c1-7-12(8(2)20-13-7)22(17,18)21-11-6-9(14(15)16)4-5-10(11)19-3/h4-6H,1-3H3