2-[(3-azanyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-amino]benzoic acid

Systemtic Name: 2-[(3-azanyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-amino]benzoic acid Openeye Name: 2-[(3-amino-1-oxido-pyridin-1-ium-2-yl)-hydroxy-amino]benzoic acid CAS Name: 2-[(3-amino-1-oxido-2-pyridin-1-iumyl)-hydroxyamino]benzoic acid IUPAC Name: 2-[(3-amino-1-oxidopyridin-1-ium-2-yl)-hydroxyamino]benzoic acid Traditional Name: 2-[(3-amino-1-oxido-pyridin-1-ium-2-yl)-hydroxy-amino]benzoic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c13-9-5-3-7-14(18)11(9)15(19)10-6-2-1-4-8(10)12(16)17/h1-7,19H,13H2,(H,16,17)