(Z)-1-ethoxy-3-[3-ethyl-3-[4-(2-nitrophenyl)but-3-ynyl]-2-oxidanylidene-piperidin-1-yl]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-3-[3-ethyl-3-[4-(2-nitrophenyl)but-3-ynyl]-2-oxidanylidene-piperidin-1-yl]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-1-ethoxy-3-[3-ethyl-3-[4-(2-nitrophenyl)but-3-ynyl]-2-oxo-1-piperidyl]-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-3-[3-ethyl-3-[4-(2-nitrophenyl)but-3-ynyl]-2-oxo-1-piperidinyl]-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-1-ethoxy-3-[3-ethyl-3-[4-(2-nitrophenyl)but-3-ynyl]-2-oxopiperidin-1-yl]-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-3-[3-ethyl-2-keto-3-[4-(2-nitrophenyl)but-3-ynyl]piperidino]-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C22H25N4O6+ MolecularWeight: 441.4571

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCN(C1=O)C(=O)C(=C(O)OCC)[N+]#N)CCC#CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1(CCCN(C1=O)C(=O)/C(=C(\O)/OCC)/[N+]#N)CCC#CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6/c1-3-22(13-8-7-11-16-10-5-6-12-17(16)26(30)31)14-9-15-25(21(22)29)19(27)18(24-23)20(28)32-4-2/h5-6,10,12H,3-4,8-9,13-15H2,1-2H3/p+1