ethyl 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-2,5-dihydropyrrole-3-carboxylate Openeye Name: ethyl 2-(4-nitrophenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-2,5-dihydropyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-2,5-dihydropyrrole-3-carboxylate Traditional Name: 2-(4-nitrophenyl)-1-tosyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCN(C1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CCN(C1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N2O6S/c1-3-28-20(23)18-12-13-21(29(26,27)17-10-4-14(2)5-11-17)19(18)15-6-8-16(9-7-15)22(24)25/h4-12,19H,3,13H2,1-2H3