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

Systemtic Name: 5-methoxy-5-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-bicyclo[4.1.0]heptane-2,4-dione Openeye Name: 5-methoxy-5-methyl-3-(4-methylsulfonyl-2-nitro-benzoyl)norcarane-2,4-dione CAS Name: 5-methoxy-5-methyl-3-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]bicyclo[4.1.0]heptane-2,4-dione IUPAC Name: 5-methoxy-5-methyl-3-(4-methylsulfonyl-2-nitrobenzoyl)bicyclo[4.1.0]heptane-2,4-dione Traditional Name: 3-(4-mesyl-2-nitro-benzoyl)-5-methoxy-5-methyl-norcarane-2,4-quinone Formula: C17H17NO8S MolecularWeight: 395.38378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC2C(=O)C(C1=O)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

CC1(C2CC2C(=O)C(C1=O)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17NO8S/c1-17(26-2)11-7-10(11)15(20)13(16(17)21)14(19)9-5-4-8(27(3,24)25)6-12(9)18(22)23/h4-6,10-11,13H,7H2,1-3H3