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

Systemtic Name: 5,5-dimethyl-2-[(5-nitro-2-oxidanyl-phenyl)methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-hydroxy-5-nitrophenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2-hydroxy-5-nitro-benzylidene)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5/c1-15(2)7-13(18)11(14(19)8-15)6-9-5-10(16(20)21)3-4-12(9)17/h3-6,17H,7-8H2,1-2H3