1-oxidanidyl-4-phenylmethoxy-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-oxidanidyl-4-phenylmethoxy-pyridin-1-ium-3-carboxylic acid Openeye Name: 4-benzyloxy-1-oxido-pyridin-1-ium-3-carboxylic acid CAS Name: 1-oxido-4-phenylmethoxy-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-oxido-4-phenylmethoxypyridin-1-ium-3-carboxylic acid Traditional Name: 4-benzoxy-1-oxido-pyridin-1-ium-3-carboxylic acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=[N+](C=C2)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=[N+](C=C2)[O-])C(=O)O

InChI

InChI=1S/C13H11NO4/c15-13(16)11-8-14(17)7-6-12(11)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)