(4-bromophenyl)methyl 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate

Systemtic Name: (4-bromophenyl)methyl 2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate Openeye Name: (4-bromophenyl)methyl 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoic acid (4-bromobenzyl) ester Formula: C20H15BrN2O7S MolecularWeight: 507.3113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrN2O7S/c21-14-7-5-13(6-8-14)12-30-20(25)16-3-1-2-4-17(16)22-31(28,29)15-9-10-19(24)18(11-15)23(26)27/h1-11,22,24H,12H2