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

Systemtic Name: [(4E)-5-cyano-5-isoquinolin-2-ium-2-yl-4-oxidanyl-penta-1,4-dien-2-yl] ethyl carbonate Openeye Name: [(E)-4-cyano-3-hydroxy-4-isoquinolin-2-ium-2-yl-1-methylene-but-3-enyl] ethyl carbonate CAS Name: carbonic acid [(4E)-5-cyano-4-hydroxy-5-(2-isoquinolin-2-iumyl)penta-1,4-dien-2-yl] ethyl ester IUPAC Name: [(4E)-5-cyano-4-hydroxy-5-isoquinolin-2-ium-2-ylpenta-1,4-dien-2-yl] ethyl carbonate Traditional Name: carbonic acid [(E)-4-cyano-3-hydroxy-4-isoquinolin-2-ium-2-yl-1-methylene-but-3-enyl] ethyl ester Formula: C18H17N2O4+ MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(=C)CC(=C(C#N)[N+]1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

CCOC(=O)OC(=C)C/C(=C(/C#N)\[N+]1=CC2=CC=CC=C2C=C1)/O

InChI

InChI=1S/C18H16N2O4/c1-3-23-18(22)24-13(2)10-17(21)16(11-19)20-9-8-14-6-4-5-7-15(14)12-20/h4-9,12H,2-3,10H2,1H3/p+1/b17-16+