[3-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl] benzoate

Systemtic Name: [3-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl] benzoate Openeye Name: [3-(4-methylsulfonyl-2-nitro-benzoyl)-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] benzoate CAS Name: benzoic acid [3-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] ester IUPAC Name: [3-(4-methylsulfonyl-2-nitrobenzoyl)-4-oxo-2-bicyclo[3.2.1]oct-2-enyl] benzoate Traditional Name: benzoic acid [4-keto-3-(4-mesyl-2-nitro-benzoyl)-2-bicyclo[3.2.1]oct-2-enyl] ester Formula: C23H19NO8S MolecularWeight: 469.46386

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)OC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)OC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19NO8S/c1-33(30,31)16-9-10-17(18(12-16)24(28)29)21(26)19-20(25)14-7-8-15(11-14)22(19)32-23(27)13-5-3-2-4-6-13/h2-6,9-10,12,14-15H,7-8,11H2,1H3