(E)-5-nitro-6-[4-(trifluoromethyl)phenyl]hex-5-en-2-one

Systemtic Name: (E)-5-nitro-6-[4-(trifluoromethyl)phenyl]hex-5-en-2-one Openeye Name: (E)-5-nitro-6-[4-(trifluoromethyl)phenyl]hex-5-en-2-one CAS Name: (E)-5-nitro-6-[4-(trifluoromethyl)phenyl]-5-hexen-2-one IUPAC Name: (E)-5-nitro-6-[4-(trifluoromethyl)phenyl]hex-5-en-2-one Traditional Name: (E)-5-nitro-6-[4-(trifluoromethyl)phenyl]hex-5-en-2-one Formula: C13H12F3NO3 MolecularWeight: 287.23449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3NO3/c1-9(18)2-7-12(17(19)20)8-10-3-5-11(6-4-10)13(14,15)16/h3-6,8H,2,7H2,1H3/b12-8+