(4-bromophenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (4-bromophenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (4-bromophenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (4-bromophenyl) ester Formula: C12H9BrN2O5S MolecularWeight: 373.17926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN2O5S/c13-8-1-3-9(4-2-8)20-21(18,19)10-5-6-11(14)12(7-10)15(16)17/h1-7H,14H2