1-[2-nitro-5-(trifluoromethyloxy)phenyl]hexane-1,3,5-trione

Systemtic Name: 1-[2-nitro-5-(trifluoromethyloxy)phenyl]hexane-1,3,5-trione Openeye Name: 1-[2-nitro-5-(trifluoromethoxy)phenyl]hexane-1,3,5-trione CAS Name: 1-[2-nitro-5-(trifluoromethoxy)phenyl]hexane-1,3,5-trione IUPAC Name: 1-[2-nitro-5-(trifluoromethoxy)phenyl]hexane-1,3,5-trione Traditional Name: 1-[2-nitro-5-(trifluoromethoxy)phenyl]hexane-1,3,5-trione Formula: C13H10F3NO6 MolecularWeight: 333.21681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3NO6/c1-7(18)4-8(19)5-12(20)10-6-9(23-13(14,15)16)2-3-11(10)17(21)22/h2-3,6H,4-5H2,1H3