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

Systemtic Name: (4-nitrophenyl)methyl 2-[[1-(aminocarbonylamino)-2-methyl-propan-2-yl]oxymethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(1,1-dimethyl-2-ureido-ethoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[(1,1-dimethyl-2-ureido-ethoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H28N4O9S MolecularWeight: 488.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)N)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(C)(CNC(=O)N)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C19H28N4O9S/c1-19(2,12-21-17(20)24)31-11-15-8-16(32-33(3,28)29)9-22(15)18(25)30-10-13-4-6-14(7-5-13)23(26)27/h4-7,15-16H,8-12H2,1-3H3,(H3,20,21,24)