(4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxidanylidene-pyrrolidin-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxidanylidene-pyrrolidin-3-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxo-pyrrolidin-3-yl]pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-5-oxo-3-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[5-keto-4-[(4-nitrobenzyl)oxycarbonylamino]pyrrolidin-3-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H27N5O12S MolecularWeight: 621.57318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CNC(=O)C3NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CNC(=O)C3NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O12S/c1-43(38,39)42-19-10-21(28(12-19)25(33)41-14-16-4-8-18(9-5-16)30(36)37)20-11-26-23(31)22(20)27-24(32)40-13-15-2-6-17(7-3-15)29(34)35/h2-9,19-22H,10-14H2,1H3,(H,26,31)(H,27,32)