(7-oxidanylidene-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-nitrobenzenesulfonate

Systemtic Name: (7-oxidanylidene-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-nitrobenzenesulfonate Openeye Name: (7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) ester IUPAC Name: (7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (7-keto-1,6-diazabicyclo[3.2.1]octan-6-yl) ester Formula: C12H13N3O6S MolecularWeight: 327.31312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(C1)C(=O)N2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2CN(C1)C(=O)N2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6S/c16-12-13-7-1-2-10(8-13)14(12)21-22(19,20)11-5-3-9(4-6-11)15(17)18/h3-6,10H,1-2,7-8H2