(4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

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

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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-])COCC(=O)N

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCC(=O)N

InChI

InChI=1S/C16H21N3O9S/c1-29(24,25)28-14-6-13(9-26-10-15(17)20)18(7-14)16(21)27-8-11-2-4-12(5-3-11)19(22)23/h2-5,13-14H,6-10H2,1H3,(H2,17,20)