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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H15BrN2O8S MolecularWeight: 535.3214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN2O8S/c22-15-5-1-13(2-6-15)20(26)12-32-21(27)14-3-7-16(8-4-14)23-33(30,31)17-9-10-19(25)18(11-17)24(28)29/h1-11,23,25H,12H2