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

Systemtic Name: [4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(3,4-dimethoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl] ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18N2O8S/c1-29-19-11-8-15(12-20(19)30-2)22-21(24)14-6-9-17(10-7-14)31-32(27,28)18-5-3-4-16(13-18)23(25)26/h3-13H,1-2H3,(H,22,24)