3-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]benzoic acid Openeye Name: 3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O4/c16-12(10-4-2-6-15(19)8-10)14-11-5-1-3-9(7-11)13(17)18/h1-8H,(H,14,16)(H,17,18)