4-bromanyl-2-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-bromanyl-2-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-bromo-2-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-bromo-2-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-bromo-2-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-bromo-2-nitro-5-sulfamoyl-benzoic acid Formula: C7H5BrN2O6S MolecularWeight: 325.0934

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)N)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)N)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H5BrN2O6S/c8-4-2-5(10(13)14)3(7(11)12)1-6(4)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)