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

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxymethyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-amino-1,1-dimethyl-2-oxo-ethoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[(1-amino-2-methyl-1-oxopropan-2-yl)oxymethyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)oxymethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[(2-amino-2-keto-1,1-dimethyl-ethoxy)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N3O9S MolecularWeight: 459.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O9S/c1-18(2,16(19)22)29-11-14-8-15(30-31(3,26)27)9-20(14)17(23)28-10-12-4-6-13(7-5-12)21(24)25/h4-7,14-15H,8-11H2,1-3H3,(H2,19,22)