(E)-8-[3-nitro-4,5-bis(oxidanyl)phenyl]-6-oxidanylidene-N-[4-(trifluoromethyl)phenyl]oct-7-enamide

Systemtic Name: (E)-8-[3-nitro-4,5-bis(oxidanyl)phenyl]-6-oxidanylidene-N-[4-(trifluoromethyl)phenyl]oct-7-enamide Openeye Name: (E)-8-(3,4-dihydroxy-5-nitro-phenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]oct-7-enamide CAS Name: (E)-8-(3,4-dihydroxy-5-nitrophenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]-7-octenamide IUPAC Name: (E)-8-(3,4-dihydroxy-5-nitrophenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]oct-7-enamide Traditional Name: (E)-8-(3,4-dihydroxy-5-nitro-phenyl)-6-keto-N-[4-(trifluoromethyl)phenyl]oct-7-enamide Formula: C21H19F3N2O6 MolecularWeight: 452.38057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC(=O)CCCCC(=O)C=CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)CCCCC(=O)/C=C/C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N2O6/c22-21(23,24)14-6-8-15(9-7-14)25-19(29)4-2-1-3-16(27)10-5-13-11-17(26(31)32)20(30)18(28)12-13/h5-12,28,30H,1-4H2,(H,25,29)/b10-5+