4-methylsulfonyloxypyrrolidine-2-carboxylic acid; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one

Systemtic Name: 4-methylsulfonyloxypyrrolidine-2-carboxylic acid; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: 4-methylsulfonyloxypyrrolidine-2-carboxylic acid; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 4-methylsulfonyloxy-2-pyrrolidinecarboxylic acid; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: 4-methylsulfonyloxypyrrolidine-2-carboxylic acid; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 4-methylsulfonyloxyproline; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C14H16N2O9S MolecularWeight: 388.34984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(NC1)C(=O)O.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CC(NC1)C(=O)O.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C6H11NO5S/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;1-13(10,11)12-4-2-5(6(8)9)7-3-4/h1-4,7H;4-5,7H,2-3H2,1H3,(H,8,9)