5,5-dimethyl-2-(4-nitrophenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(4-nitrophenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(4-nitrobenzoyl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(4-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(4-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(4-nitrobenzoyl)cyclohexane-1,3-quinone Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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