(E)-3-nitro-4-[2-(trifluoromethyloxy)phenyl]but-3-en-2-one

Systemtic Name: (E)-3-nitro-4-[2-(trifluoromethyloxy)phenyl]but-3-en-2-one Openeye Name: (E)-3-nitro-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-one CAS Name: (E)-3-nitro-4-[2-(trifluoromethoxy)phenyl]-3-buten-2-one IUPAC Name: (E)-3-nitro-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-one Traditional Name: (E)-3-nitro-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-one Formula: C11H8F3NO4 MolecularWeight: 275.18073

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1OC(F)(F)F)/[N+](=O)[O-]

InChI

InChI=1S/C11H8F3NO4/c1-7(16)9(15(17)18)6-8-4-2-3-5-10(8)19-11(12,13)14/h2-6H,1H3/b9-6+