(4-nitrophenyl)methyl 2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[1,1-dimethyl-2-[(4-nitrophenyl)methoxycarbonylamino]ethoxy]methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[[2-methyl-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propan-2-yl]oxymethyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[[1,1-dimethyl-2-[(4-nitrobenzyl)oxycarbonylamino]ethoxy]methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H32N4O12S MolecularWeight: 624.61688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C26H32N4O12S/c1-26(2,17-27-24(31)39-14-18-4-8-20(9-5-18)29(33)34)41-16-22-12-23(42-43(3,37)38)13-28(22)25(32)40-15-19-6-10-21(11-7-19)30(35)36/h4-11,22-23H,12-17H2,1-3H3,(H,27,31)