(4-cyanophenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (4-cyanobenzyl) ester Formula: C14H10N2O3 MolecularWeight: 254.2408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=[N+](C=C2)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=[N+](C=C2)[O-])C#N

InChI

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