(E)-3-[1-[2-(1-benzofuran-3-yl)ethanoyl]-3-ethyl-2-oxidanylidene-piperidin-3-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[1-[2-(1-benzofuran-3-yl)ethanoyl]-3-ethyl-2-oxidanylidene-piperidin-3-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-[1-[2-(benzofuran-3-yl)acetyl]-3-ethyl-2-oxo-3-piperidyl]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-3-[1-[2-(3-benzofuranyl)-1-oxoethyl]-3-ethyl-2-oxo-3-piperidinyl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-[1-[2-(1-benzofuran-3-yl)acetyl]-3-ethyl-2-oxopiperidin-3-yl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-[1-[2-(benzofuran-3-yl)acetyl]-3-ethyl-2-keto-3-piperidyl]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCN(C1=O)C(=O)CC2=COC3=CC=CC=C32)C(=O)C(=C([O-])OCC)[N+]#N

Isomeric SMILES

CCC1(CCCN(C1=O)C(=O)CC2=COC3=CC=CC=C32)C(=O)/C(=C(/[O-])\OCC)/[N+]#N

InChI

InChI=1S/C22H23N3O6/c1-3-22(19(27)18(24-23)20(28)30-4-2)10-7-11-25(21(22)29)17(26)12-14-13-31-16-9-6-5-8-15(14)16/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3