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

Systemtic Name: tert-butyl 2-[4-azanyl-2-(4-methylsulfonylphenoxy)-5-nitro-phenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[4-amino-2-(4-methylsulfonylphenoxy)-5-nitro-phenyl]pyrrole-1-carboxylate CAS Name: 2-[4-amino-2-(4-methylsulfonylphenoxy)-5-nitrophenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-amino-2-(4-methylsulfonylphenoxy)-5-nitrophenyl]pyrrole-1-carboxylate Traditional Name: 2-[4-amino-2-(4-mesylphenoxy)-5-nitro-phenyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=C(C=C2OC3=CC=C(C=C3)S(=O)(=O)C)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=C(C=C2OC3=CC=C(C=C3)S(=O)(=O)C)N)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7S/c1-22(2,3)32-21(26)24-11-5-6-18(24)16-12-19(25(27)28)17(23)13-20(16)31-14-7-9-15(10-8-14)33(4,29)30/h5-13H,23H2,1-4H3