3-(tert-butylsulfamoyl)-4-methoxy-5-nitro-benzoate

Systemtic Name: 3-(tert-butylsulfamoyl)-4-methoxy-5-nitro-benzoate Openeye Name: 3-(tert-butylsulfamoyl)-4-methoxy-5-nitro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-methoxy-5-nitrobenzoate IUPAC Name: 3-(tert-butylsulfamoyl)-4-methoxy-5-nitrobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-methoxy-5-nitro-benzoate Formula: C12H15N2O7S- MolecularWeight: 331.3217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1OC)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1OC)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H16N2O7S/c1-12(2,3)13-22(19,20)9-6-7(11(15)16)5-8(14(17)18)10(9)21-4/h5-6,13H,1-4H3,(H,15,16)/p-1