[ethoxycarbonyl(ethyl)amino] 4-nitrobenzenesulfonate

Systemtic Name: [ethoxycarbonyl(ethyl)amino] 4-nitrobenzenesulfonate Openeye Name: [ethoxycarbonyl(ethyl)amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [ethoxycarbonyl(ethyl)amino] ester IUPAC Name: [ethoxycarbonyl(ethyl)amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [carbethoxy(ethyl)amino] ester Formula: C11H14N2O7S MolecularWeight: 318.30306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCN(C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O7S/c1-3-12(11(14)19-4-2)20-21(17,18)10-7-5-9(6-8-10)13(15)16/h5-8H,3-4H2,1-2H3