[(4Z)-5-cyano-4-oxidanyl-5-pyridin-1-ium-1-yl-penta-1,4-dien-2-yl] ethyl carbonate

Systemtic Name: [(4Z)-5-cyano-4-oxidanyl-5-pyridin-1-ium-1-yl-penta-1,4-dien-2-yl] ethyl carbonate Openeye Name: [(Z)-4-cyano-3-hydroxy-1-methylene-4-pyridin-1-ium-1-yl-but-3-enyl] ethyl carbonate CAS Name: carbonic acid [(4Z)-5-cyano-4-hydroxy-5-(1-pyridin-1-iumyl)penta-1,4-dien-2-yl] ethyl ester IUPAC Name: [(4Z)-5-cyano-4-hydroxy-5-pyridin-1-ium-1-ylpenta-1,4-dien-2-yl] ethyl carbonate Traditional Name: carbonic acid [(Z)-4-cyano-3-hydroxy-1-methylene-4-pyridin-1-ium-1-yl-but-3-enyl] ethyl ester Formula: C14H15N2O4+ MolecularWeight: 275.2799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(=C)CC(=C(C#N)[N+]1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)OC(=C)C/C(=C(\C#N)/[N+]1=CC=CC=C1)/O

InChI

InChI=1S/C14H14N2O4/c1-3-19-14(18)20-11(2)9-13(17)12(10-15)16-7-5-4-6-8-16/h4-8H,2-3,9H2,1H3/p+1/b13-12-