(4-nitrophenyl)methyl 2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[[[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-[[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-[[[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]thio]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H28N4O9S MolecularWeight: 560.57622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1SCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O9S/c30-22-11-21(27(12-22)25(32)38-15-18-3-7-20(8-4-18)29(35)36)16-39-23-9-10-26(13-23)24(31)37-14-17-1-5-19(6-2-17)28(33)34/h1-8,21-23,30H,9-16H2