(E,2R)-4-cyano-5-ethoxy-5-oxidanylidene-2-pyridin-1-ium-1-yl-pent-3-enoic acid

Systemtic Name: (E,2R)-4-cyano-5-ethoxy-5-oxidanylidene-2-pyridin-1-ium-1-yl-pent-3-enoic acid Openeye Name: (E,2R)-4-cyano-5-ethoxy-5-oxo-2-pyridin-1-ium-1-yl-pent-3-enoic acid CAS Name: (E,2R)-4-cyano-5-ethoxy-5-oxo-2-(1-pyridin-1-iumyl)-3-pentenoic acid IUPAC Name: (E,2R)-4-cyano-5-ethoxy-5-oxo-2-pyridin-1-ium-1-ylpent-3-enoic acid Traditional Name: (E,2R)-4-cyano-5-ethoxy-5-keto-2-pyridin-1-ium-1-yl-pent-3-enoic acid Formula: C13H13N2O4+ MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/[C@H](C(=O)O)[N+]1=CC=CC=C1)/C#N

InChI

InChI=1S/C13H12N2O4/c1-2-19-13(18)10(9-14)8-11(12(16)17)15-6-4-3-5-7-15/h3-8,11H,2H2,1H3/p+1/b10-8+/t11-/m1/s1