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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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