2-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(4,5-dimethoxy-2-nitro-benzylidene)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)C1)C

InChI

InChI=1S/C17H19NO6/c1-17(2)8-13(19)11(14(20)9-17)5-10-6-15(23-3)16(24-4)7-12(10)18(21)22/h5-7H,8-9H2,1-4H3