[(1R)-2-oxidanylidenecyclopentyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclopentyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(1R)-2-oxocyclopentyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(1R)-2-oxocyclopentyl] ester IUPAC Name: [(1R)-2-oxocyclopentyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(1R)-2-ketocyclopentyl] ester Formula: C13H13NO7S MolecularWeight: 327.30982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC2CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O[C@@H]2CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO7S/c1-22(19,20)12-6-5-8(7-9(12)14(17)18)13(16)21-11-4-2-3-10(11)15/h5-7,11H,2-4H2,1H3/t11-/m1/s1