bis[(4-nitrophenyl)methyl] 4-sulfanylpyrrolidine-1,2-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-sulfanylpyrrolidine-1,2-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-sulfanylpyrrolidine-1,2-dicarboxylate CAS Name: 4-mercaptopyrrolidine-1,2-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-sulfanylpyrrolidine-1,2-dicarboxylate Traditional Name: 4-mercaptopyrrolidine-1,2-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C20H19N3O8S MolecularWeight: 461.44516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C20H19N3O8S/c24-19(30-11-13-1-5-15(6-2-13)22(26)27)18-9-17(32)10-21(18)20(25)31-12-14-3-7-16(8-4-14)23(28)29/h1-8,17-18,32H,9-12H2