5-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(6-chloro-1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-chloro-1-oxidopyridin-1-ium-3-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]isophthalic acid Formula: C14H9ClN2O6 MolecularWeight: 336.68406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[N+](C=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[O-])Cl

Isomeric SMILES

C1=CC(=[N+](C=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[O-])Cl

InChI

InChI=1S/C14H9ClN2O6/c15-11-2-1-7(6-17(11)23)12(18)16-10-4-8(13(19)20)3-9(5-10)14(21)22/h1-6H,(H,16,18)(H,19,20)(H,21,22)