methyl 2-(tert-butylsulfamoyl)-4-nitro-benzoate

Systemtic Name: methyl 2-(tert-butylsulfamoyl)-4-nitro-benzoate Openeye Name: methyl 2-(tert-butylsulfamoyl)-4-nitro-benzoate CAS Name: 2-(tert-butylsulfamoyl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(tert-butylsulfamoyl)-4-nitrobenzoate Traditional Name: 2-(tert-butylsulfamoyl)-4-nitro-benzoic acid methyl ester Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-12(2,3)13-21(18,19)10-7-8(14(16)17)5-6-9(10)11(15)20-4/h5-7,13H,1-4H3