tert-butyl 2-[2-(4-methylsulfonylphenoxy)-5-nitro-phenyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(4-methylsulfonylphenoxy)-5-nitro-phenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[2-(4-methylsulfonylphenoxy)-5-nitro-phenyl]pyrrole-1-carboxylate CAS Name: 2-[2-(4-methylsulfonylphenoxy)-5-nitrophenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(4-methylsulfonylphenoxy)-5-nitrophenyl]pyrrole-1-carboxylate Traditional Name: 2-[2-(4-mesylphenoxy)-5-nitro-phenyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22N2O7S/c1-22(2,3)31-21(25)23-13-5-6-19(23)18-14-15(24(26)27)7-12-20(18)30-16-8-10-17(11-9-16)32(4,28)29/h5-14H,1-4H3