[4-[2-(2-methoxyphenoxy)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(2-methoxyphenoxy)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(2-methoxyphenoxy)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(2-methoxyphenoxy)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2-methoxyphenoxy)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(2-methoxyphenoxy)ethylcarbamoyl]phenyl] ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1OCCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O8S/c1-30-20-7-2-3-8-21(20)31-14-13-23-22(25)16-9-11-18(12-10-16)32-33(28,29)19-6-4-5-17(15-19)24(26)27/h2-12,15H,13-14H2,1H3,(H,23,25)