2-(4-nitrophenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: 2-(4-nitrophenyl)carbonylcyclohexane-1,3-dione Openeye Name: 2-(4-nitrobenzoyl)cyclohexane-1,3-dione CAS Name: 2-[(4-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(4-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(4-nitrobenzoyl)cyclohexane-1,3-quinone Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5/c15-10-2-1-3-11(16)12(10)13(17)8-4-6-9(7-5-8)14(18)19/h4-7,12H,1-3H2