2-[2-nitro-6-(trifluoromethyl)phenyl]cyclohexane-1,3-dione

Systemtic Name: 2-[2-nitro-6-(trifluoromethyl)phenyl]cyclohexane-1,3-dione Openeye Name: 2-[2-nitro-6-(trifluoromethyl)phenyl]cyclohexane-1,3-dione CAS Name: 2-[2-nitro-6-(trifluoromethyl)phenyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-nitro-6-(trifluoromethyl)phenyl]cyclohexane-1,3-dione Traditional Name: 2-[2-nitro-6-(trifluoromethyl)phenyl]cyclohexane-1,3-quinone Formula: C13H10F3NO4 MolecularWeight: 301.21801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3NO4/c14-13(15,16)7-3-1-4-8(17(20)21)11(7)12-9(18)5-2-6-10(12)19/h1,3-4,12H,2,5-6H2