(E)-2-diazonio-1-ethoxy-3-[2-(trifluoromethylsulfonylcarbamoyl)phenyl]prop-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-ethoxy-3-[2-(trifluoromethylsulfonylcarbamoyl)phenyl]prop-1-en-1-olate Openeye Name: (E)-2-diazonio-1-ethoxy-3-[2-(trifluoromethylsulfonylcarbamoyl)phenyl]prop-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-3-[2-[oxo-(trifluoromethylsulfonylamino)methyl]phenyl]-1-propen-1-olate IUPAC Name: (E)-2-diazonio-1-ethoxy-3-[2-(trifluoromethylsulfonylcarbamoyl)phenyl]prop-1-en-1-olate Traditional Name: (E)-2-diazonio-1-ethoxy-3-[2-(triflylcarbamoyl)phenyl]prop-1-en-1-olate Formula: C13H12F3N3O5S MolecularWeight: 379.31169

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(CC1=CC=CC=C1C(=O)NS(=O)(=O)C(F)(F)F)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(\CC1=CC=CC=C1C(=O)NS(=O)(=O)C(F)(F)F)/[N+]#N)/[O-]

InChI

InChI=1S/C13H12F3N3O5S/c1-2-24-12(21)10(18-17)7-8-5-3-4-6-9(8)11(20)19-25(22,23)13(14,15)16/h3-6H,2,7H2,1H3,(H-,19,20,21)/b12-10+