(4-nitrophenyl)methyl 2-(2-azanyl-1-methoxy-2-oxidanylidene-ethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-azanyl-1-methoxy-2-oxidanylidene-ethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-amino-1-methoxy-2-oxo-ethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-(2-amino-1-methoxy-2-oxoethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-amino-1-methoxy-2-oxoethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(2-amino-2-keto-1-methoxy-ethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O9S MolecularWeight: 431.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C)C(=O)N

Isomeric SMILES

COC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C)C(=O)N

InChI

InChI=1S/C16H21N3O9S/c1-26-14(15(17)20)13-7-12(28-29(2,24)25)8-18(13)16(21)27-9-10-3-5-11(6-4-10)19(22)23/h3-6,12-14H,7-9H2,1-2H3,(H2,17,20)