phenyl 3-cyanopyridin-1-ium-1-carboxylate

Systemtic Name: phenyl 3-cyanopyridin-1-ium-1-carboxylate Openeye Name: phenyl 3-cyanopyridin-1-ium-1-carboxylate CAS Name: 3-cyano-1-pyridin-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 3-cyanopyridin-1-ium-1-carboxylate Traditional Name: 3-cyanopyridin-1-ium-1-carboxylic acid phenyl ester Formula: C13H9N2O2+ MolecularWeight: 225.22276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)[N+]2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)[N+]2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H9N2O2/c14-9-11-5-4-8-15(10-11)13(16)17-12-6-2-1-3-7-12/h1-8,10H/q+1