[4-[(4,5-dimethoxy-2-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4,5-dimethoxy-2-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4,5-dimethoxy-2-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4,5-dimethoxy-2-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4,5-dimethoxy-2-methyl-phenyl)carbamoyl]phenyl] ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H20N2O8S/c1-14-11-20(30-2)21(31-3)13-19(14)23-22(25)15-7-9-17(10-8-15)32-33(28,29)18-6-4-5-16(12-18)24(26)27/h4-13H,1-3H3,(H,23,25)