6-bromanyl-2-(4-nitrophenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinine

Systemtic Name: 6-bromanyl-2-(4-nitrophenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinine Openeye Name: 6-bromo-1-hydroxy-2-(4-nitrophenyl)sulfonyl-2,3,1-benzodiazaborinine CAS Name: 6-bromo-1-hydroxy-2-(4-nitrophenyl)sulfonyl-2,3,1-benzodiazaborine IUPAC Name: 6-bromo-1-hydroxy-2-(4-nitrophenyl)sulfonyl-2,3,1-benzodiazaborinine Traditional Name: 6-bromo-1-hydroxy-2-nosyl-2,3,1-benzodiazaborine Formula: C13H9BBrN3O5S MolecularWeight: 410.00766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=C(C=C2)Br)C=NN1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

B1(C2=C(C=C(C=C2)Br)C=NN1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C13H9BBrN3O5S/c15-10-1-6-13-9(7-10)8-16-18(14(13)19)24(22,23)12-4-2-11(3-5-12)17(20)21/h1-8,19H