(1E)-1-cyano-4-ethoxycarbonyloxy-1-isoquinolin-2-ium-2-yl-penta-1,4-dien-2-olate

Systemtic Name: (1E)-1-cyano-4-ethoxycarbonyloxy-1-isoquinolin-2-ium-2-yl-penta-1,4-dien-2-olate Openeye Name: (1E)-1-cyano-4-ethoxycarbonyloxy-1-isoquinolin-2-ium-2-yl-penta-1,4-dien-2-olate CAS Name: (1E)-1-cyano-4-ethoxycarbonyloxy-1-(2-isoquinolin-2-iumyl)-2-penta-1,4-dienolate IUPAC Name: (1E)-1-cyano-4-ethoxycarbonyloxy-1-isoquinolin-2-ium-2-ylpenta-1,4-dien-2-olate Traditional Name: (1E)-4-carbethoxyoxy-1-cyano-1-isoquinolin-2-ium-2-yl-penta-1,4-dien-2-olate Formula: C18H16N2O4 MolecularWeight: 324.33064

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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/b17-16+