2-methyl-4-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-bicyclo[4.1.0]heptane-3,5-dione

Systemtic Name: 2-methyl-4-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-bicyclo[4.1.0]heptane-3,5-dione Openeye Name: 5-methyl-3-(4-methylsulfonyl-2-nitro-benzoyl)norcarane-2,4-dione CAS Name: 2-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]bicyclo[4.1.0]heptane-3,5-dione IUPAC Name: 2-methyl-4-(4-methylsulfonyl-2-nitrobenzoyl)bicyclo[4.1.0]heptane-3,5-dione Traditional Name: 3-(4-mesyl-2-nitro-benzoyl)-5-methyl-norcarane-2,4-quinone Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC2C(=O)C(C1=O)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1C2CC2C(=O)C(C1=O)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c1-7-10-6-11(10)16(20)13(14(7)18)15(19)9-4-3-8(25(2,23)24)5-12(9)17(21)22/h3-5,7,10-11,13H,6H2,1-2H3