[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H15BrN4O10S MolecularWeight: 595.3336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN4O10S/c22-17-9-14(26(32)33)5-7-18(17)23-20(28)11-36-21(29)16-10-15(6-8-19(16)27)37(34,35)24-12-1-3-13(4-2-12)25(30)31/h1-10,24,27H,11H2,(H,23,28)