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

Systemtic Name: (4-cyanophenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (4-cyanobenzyl) ester Formula: C14H10N2O3 MolecularWeight: 254.2408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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