(4-nitrophenyl)methyl 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-4-oxidanyl-2-(phenylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-4-oxidanyl-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-benzyl-4-hydroxy-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-benzyl-4-hydroxy-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-benzyl-4-hydroxy-4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H28N4O9 MolecularWeight: 564.54332

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC1(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O9/c33-26(40-16-21-6-10-23(11-7-21)31(36)37)29-18-28(35)15-25(14-20-4-2-1-3-5-20)30(19-28)27(34)41-17-22-8-12-24(13-9-22)32(38)39/h1-13,25,35H,14-19H2,(H,29,33)