(E)-2-diazonio-2-(2-ethoxy-1-oxidanyl-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethenolate

Systemtic Name: (E)-2-diazonio-2-(2-ethoxy-1-oxidanyl-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethenolate Openeye Name: (E)-1-tert-butoxy-2-diazonio-2-(2-ethoxy-1-hydroxy-4-oxo-3-phenyl-cyclobut-2-en-1-yl)ethenolate CAS Name: (E)-2-diazonio-2-(2-ethoxy-1-hydroxy-4-oxo-3-phenyl-1-cyclobut-2-enyl)-1-[(2-methylpropan-2-yl)oxy]ethenolate IUPAC Name: (E)-2-diazonio-2-(2-ethoxy-1-hydroxy-4-oxo-3-phenylcyclobut-2-en-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethenolate Traditional Name: (E)-1-tert-butoxy-2-diazonio-2-(2-ethoxy-1-hydroxy-4-keto-3-phenyl-cyclobut-2-en-1-yl)ethenolate Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1(C(=C([O-])OC(C)(C)C)[N+]#N)O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=O)C1(/C(=C(/[O-])\OC(C)(C)C)/[N+]#N)O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5/c1-5-24-15-12(11-9-7-6-8-10-11)14(21)18(15,23)13(20-19)16(22)25-17(2,3)4/h6-10,23H,5H2,1-4H3/b16-13+