(4-nitrophenyl)methyl (2S,4R)-2-[1-methoxy-2-(methylamino)-2-oxidanylidene-ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-[1-methoxy-2-(methylamino)-2-oxidanylidene-ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-[1-methoxy-2-(methylamino)-2-oxo-ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[1-methoxy-2-(methylamino)-2-oxoethyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-[1-methoxy-2-(methylamino)-2-oxoethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[2-keto-1-methoxy-2-(methylamino)ethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O9S MolecularWeight: 445.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=O)C([C@@H]1C[C@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C)OC

InChI

InChI=1S/C17H23N3O9S/c1-18-16(21)15(27-2)14-8-13(29-30(3,25)26)9-19(14)17(22)28-10-11-4-6-12(7-5-11)20(23)24/h4-7,13-15H,8-10H2,1-3H3,(H,18,21)/t13-,14+,15?/m1/s1