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

Systemtic Name: [(4Z)-5-cyano-4-oxidanyl-5-pyridin-1-ium-1-yl-penta-1,4-dien-2-yl] methyl carbonate Openeye Name: [(Z)-4-cyano-3-hydroxy-1-methylene-4-pyridin-1-ium-1-yl-but-3-enyl] methyl carbonate CAS Name: carbonic acid [(4Z)-5-cyano-4-hydroxy-5-(1-pyridin-1-iumyl)penta-1,4-dien-2-yl] methyl ester IUPAC Name: [(4Z)-5-cyano-4-hydroxy-5-pyridin-1-ium-1-ylpenta-1,4-dien-2-yl] methyl carbonate Traditional Name: carbonic acid [(Z)-4-cyano-3-hydroxy-1-methylene-4-pyridin-1-ium-1-yl-but-3-enyl] methyl ester Formula: C13H13N2O4+ MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-10(19-13(17)18-2)8-12(16)11(9-14)15-6-4-3-5-7-15/h3-7H,1,8H2,2H3/p+1/b12-11-