2-chloranyl-3-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-bicyclo[3.2.1]oct-2-en-4-one

Systemtic Name: 2-chloranyl-3-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-bicyclo[3.2.1]oct-2-en-4-one Openeye Name: 2-chloro-3-(4-methylsulfonyl-2-nitro-benzoyl)bicyclo[3.2.1]oct-2-en-4-one CAS Name: 2-chloro-3-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]-4-bicyclo[3.2.1]oct-2-enone IUPAC Name: 2-chloro-3-(4-methylsulfonyl-2-nitrobenzoyl)bicyclo[3.2.1]oct-2-en-4-one Traditional Name: 2-chloro-3-(4-mesyl-2-nitro-benzoyl)bicyclo[3.2.1]oct-2-en-4-one Formula: C16H14ClNO6S MolecularWeight: 383.80346

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO6S/c1-25(23,24)10-4-5-11(12(7-10)18(21)22)16(20)13-14(17)8-2-3-9(6-8)15(13)19/h4-5,7-9H,2-3,6H2,1H3