(E)-2-diazonio-3-oxidanyl-1-[3-oxidanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]oxy-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-3-oxidanyl-1-[3-oxidanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]oxy-but-1-en-1-olate Openeye Name: (E)-2-diazonio-3-hydroxy-1-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]oxy-but-1-en-1-olate CAS Name: (E)-2-diazonio-3-hydroxy-1-[3-hydroxy-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propoxy]-1-buten-1-olate IUPAC Name: (E)-2-diazonio-3-hydroxy-1-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]oxybut-1-en-1-olate Traditional Name: (E)-2-diazonio-3-hydroxy-1-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]oxy-but-1-en-1-olate Formula: C9H10F3N3O6 MolecularWeight: 313.18741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C([O-])OC(=O)C(CO)NC(=O)C(F)(F)F)[N+]#N)O

Isomeric SMILES

CC(/C(=C(/[O-])\OC(=O)C(CO)NC(=O)C(F)(F)F)/[N+]#N)O

InChI

InChI=1S/C9H10F3N3O6/c1-3(17)5(15-13)7(19)21-6(18)4(2-16)14-8(20)9(10,11)12/h3-4,16-17H,2H2,1H3,(H-,14,19,20)/b7-5+