2-nitro-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-nitro-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-nitro-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-nitro-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-nitro-5-phenylcyclohexane-1,3-dione Traditional Name: 2-nitro-5-phenyl-cyclohexane-1,3-quinone Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1C(CC(=O)C(C1=O)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C12H11NO4/c14-10-6-9(8-4-2-1-3-5-8)7-11(15)12(10)13(16)17/h1-5,9,12H,6-7H2