5-[[2-(3-bromophenyl)-2-oxidanylidene-ethyl]-(3-nitrophenyl)sulfonyl-amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-(3-bromophenyl)-2-oxidanylidene-ethyl]-(3-nitrophenyl)sulfonyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(3-bromophenyl)-2-oxo-ethyl]-(3-nitrophenyl)sulfonyl-amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-(3-bromophenyl)-2-oxoethyl]-(3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(3-bromophenyl)-2-oxoethyl]-(3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-(3-bromophenyl)-2-keto-ethyl]-(3-nitrophenyl)sulfonyl-amino]-2-hydroxy-benzoic acid Formula: C21H15BrN2O8S MolecularWeight: 535.3214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)CN(C2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)CN(C2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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