[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(2,4-dimethoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl] ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)OC)OC

InChI

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