3-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]benzoic acid Openeye Name: 3-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(6-chloro-1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(6-chloro-1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]benzoic acid Formula: C13H9ClN2O4 MolecularWeight: 292.67456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O4/c14-11-5-4-9(7-16(11)20)12(17)15-10-3-1-2-8(6-10)13(18)19/h1-7H,(H,15,17)(H,18,19)