(4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoate

Systemtic Name: (4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoate Openeye Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoate CAS Name: 3-methoxy-4-methylsulfonyloxy-2-nitrobenzoic acid (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) ester IUPAC Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 3-methoxy-4-methylsulfonyloxy-2-nitrobenzoate Traditional Name: 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoic acid (4-keto-2-bicyclo[3.2.1]oct-2-enyl) ester Formula: C17H17NO9S MolecularWeight: 411.38318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1[N+](=O)[O-])C(=O)OC2=CC(=O)C3CCC2C3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1[N+](=O)[O-])C(=O)OC2=CC(=O)C3CCC2C3)OS(=O)(=O)C

InChI

InChI=1S/C17H17NO9S/c1-25-16-13(27-28(2,23)24)6-5-11(15(16)18(21)22)17(20)26-14-8-12(19)9-3-4-10(14)7-9/h5-6,8-10H,3-4,7H2,1-2H3