(3-cyanophenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (3-cyanophenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (3-cyanophenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (3-cyanophenyl) ester Formula: C13H9N3O5S MolecularWeight: 319.29266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H9N3O5S/c14-8-9-2-1-3-10(6-9)21-22(19,20)11-4-5-12(15)13(7-11)16(17)18/h1-7H,15H2