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

Systemtic Name: (3-cyanophenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (3-cyanobenzyl) ester Formula: C14H10N2O3 MolecularWeight: 254.2408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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