[4-[(3,4-diethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3,4-diethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3,4-diethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(3,4-diethoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3,4-diethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3,4-diethoxyphenyl)carbamoyl]phenyl] ester Formula: C23H22N2O8S MolecularWeight: 486.49438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C23H22N2O8S/c1-3-31-21-13-10-17(14-22(21)32-4-2)24-23(26)16-8-11-19(12-9-16)33-34(29,30)20-7-5-6-18(15-20)25(27)28/h5-15H,3-4H2,1-2H3,(H,24,26)