(4-azanyl-3-nitro-phenyl) 3-bromanylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3-bromanylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C12H9BrN2O5S MolecularWeight: 373.17926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

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