2-oxidanyl-5-(2-pyridin-1-ium-1-ylethanoyl)benzoate

Systemtic Name: 2-oxidanyl-5-(2-pyridin-1-ium-1-ylethanoyl)benzoate Openeye Name: 2-hydroxy-5-(2-pyridin-1-ium-1-ylacetyl)benzoate CAS Name: 2-hydroxy-5-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]benzoate IUPAC Name: 2-hydroxy-5-(2-pyridin-1-ium-1-ylacetyl)benzoate Traditional Name: 2-hydroxy-5-(2-pyridin-1-ium-1-ylacetyl)benzoate Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4/c16-12-5-4-10(8-11(12)14(18)19)13(17)9-15-6-2-1-3-7-15/h1-8H,9H2,(H-,16,17,18,19)