ethyl 2,4-dimethyl-5-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxypropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxypropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(4-methylsulfonyl-3-nitro-benzoyl)oxypropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-methylsulfonyl-3-nitrobenzoyl)oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-mesyl-3-nitro-benzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N2O9S MolecularWeight: 466.46168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O9S/c1-6-30-20(25)16-10(2)17(21-11(16)3)18(23)12(4)31-19(24)13-7-8-15(32(5,28)29)14(9-13)22(26)27/h7-9,12,21H,6H2,1-5H3