(E)-3-(1-but-3-enoyl-3-ethyl-2-oxidanylidene-piperidin-3-yl)-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(1-but-3-enoyl-3-ethyl-2-oxidanylidene-piperidin-3-yl)-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(1-but-3-enoyl-3-ethyl-2-oxo-3-piperidyl)-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-3-[3-ethyl-2-oxo-1-(1-oxobut-3-enyl)-3-piperidinyl]-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-(1-but-3-enoyl-3-ethyl-2-oxopiperidin-3-yl)-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-(1-but-3-enoyl-3-ethyl-2-keto-3-piperidyl)-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5/c1-4-8-11(20)19-10-7-9-16(5-2,15(19)23)13(21)12(18-17)14(22)24-6-3/h4H,1,5-10H2,2-3H3