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

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-4-methylsulfonyloxy-2-[1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-2-[1-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-carbamoyl-4-methylsulfonyloxy-2-[1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propan-2-yl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-4-methylsulfonyloxy-2-[1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-2-[1-methyl-2-[(4-nitrobenzyl)oxycarbonylamino]ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H29N5O12S MolecularWeight: 623.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C)C(=O)N

Isomeric SMILES

CC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C)C(=O)N

InChI

InChI=1S/C25H29N5O12S/c1-16(12-27-23(32)40-14-17-3-7-19(8-4-17)29(34)35)25(22(26)31)11-21(42-43(2,38)39)13-28(25)24(33)41-15-18-5-9-20(10-6-18)30(36)37/h3-10,16,21H,11-15H2,1-2H3,(H2,26,31)(H,27,32)