[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C21H16BrN3O8S MolecularWeight: 550.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O8S/c22-13-3-1-4-14(9-13)23-20(27)12-33-21(28)18-8-7-15(10-19(18)26)24-34(31,32)17-6-2-5-16(11-17)25(29)30/h1-11,24,26H,12H2,(H,23,27)