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

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-sulfanylpyrazolidine-1,2-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-sulfanylpyrazolidine-1,2-dicarboxylate CAS Name: 4-mercaptopyrazolidine-1,2-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-sulfanylpyrazolidine-1,2-dicarboxylate Traditional Name: 4-mercaptopyrazolidine-1,2-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C19H18N4O8S MolecularWeight: 462.43322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H18N4O8S/c24-18(30-11-13-1-5-15(6-2-13)22(26)27)20-9-17(32)10-21(20)19(25)31-12-14-3-7-16(8-4-14)23(28)29/h1-8,17,32H,9-12H2