(3-cyanophenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (3-cyanobenzyl) ester Formula: C14H10N2O3 MolecularWeight: 254.2408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)[O-]

InChI

InChI=1S/C14H10N2O3/c15-9-11-4-3-5-12(8-11)10-19-14(17)13-6-1-2-7-16(13)18/h1-8H,10H2