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

Systemtic Name: methyl 4-methylsulfonyloxypyrrolidine-2-carboxylate; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: methyl 4-methylsulfonyloxypyrrolidine-2-carboxylate; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 4-methylsulfonyloxy-2-pyrrolidinecarboxylic acid methyl ester; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: methyl 4-methylsulfonyloxypyrrolidine-2-carboxylate; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 4-methylsulfonyloxypyrrolidine-2-carboxylic acid methyl ester; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C15H18N2O9S MolecularWeight: 402.37642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1)OS(=O)(=O)C.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CC(CN1)OS(=O)(=O)C.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C7H13NO5S/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;1-12-7(9)6-3-5(4-8-6)13-14(2,10)11/h1-4,7H;5-6,8H,3-4H2,1-2H3