(4-azanyl-3-nitro-phenyl) 3-cyanobenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3-cyanobenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C13H9N3O5S MolecularWeight: 319.29266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-])C#N

InChI

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