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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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