(1Z)-1-cyano-4-methoxycarbonyloxy-1-pyridin-1-ium-1-yl-penta-1,4-dien-2-olate

Systemtic Name: (1Z)-1-cyano-4-methoxycarbonyloxy-1-pyridin-1-ium-1-yl-penta-1,4-dien-2-olate Openeye Name: (1Z)-1-cyano-4-methoxycarbonyloxy-1-pyridin-1-ium-1-yl-penta-1,4-dien-2-olate CAS Name: (1Z)-1-cyano-4-methoxycarbonyloxy-1-(1-pyridin-1-iumyl)-2-penta-1,4-dienolate IUPAC Name: (1Z)-1-cyano-4-methoxycarbonyloxy-1-pyridin-1-ium-1-ylpenta-1,4-dien-2-olate Traditional Name: (1Z)-4-carbomethoxyoxy-1-cyano-1-pyridin-1-ium-1-yl-penta-1,4-dien-2-olate Formula: C13H12N2O4 MolecularWeight: 260.24538

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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/b12-11-