methyl 2-(tert-butylsulfamoylmethyl)-3-nitro-benzoate

Systemtic Name: methyl 2-(tert-butylsulfamoylmethyl)-3-nitro-benzoate Openeye Name: methyl 2-(tert-butylsulfamoylmethyl)-3-nitro-benzoate CAS Name: 2-(tert-butylsulfamoylmethyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(tert-butylsulfamoylmethyl)-3-nitrobenzoate Traditional Name: 2-(tert-butylsulfamoylmethyl)-3-nitro-benzoic acid methyl ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)NS(=O)(=O)CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H18N2O6S/c1-13(2,3)14-22(19,20)8-10-9(12(16)21-4)6-5-7-11(10)15(17)18/h5-7,14H,8H2,1-4H3