2-[[7-chloranyl-3-(1-oxidanidylpyridin-1-ium-2-yl)-1,2-benzoxazol-6-yl]oxy]ethanoic acid

Systemtic Name: 2-[[7-chloranyl-3-(1-oxidanidylpyridin-1-ium-2-yl)-1,2-benzoxazol-6-yl]oxy]ethanoic acid Openeye Name: 2-[[7-chloro-3-(1-oxidopyridin-1-ium-2-yl)-1,2-benzoxazol-6-yl]oxy]acetic acid CAS Name: 2-[[7-chloro-3-(1-oxido-2-pyridin-1-iumyl)-1,2-benzoxazol-6-yl]oxy]acetic acid IUPAC Name: 2-[[7-chloro-3-(1-oxidopyridin-1-ium-2-yl)-1,2-benzoxazol-6-yl]oxy]acetic acid Traditional Name: 2-[7-chloro-3-(1-oxidopyridin-1-ium-2-yl)indoxazen-6-yl]oxyacetic acid Formula: C14H9ClN2O5 MolecularWeight: 320.68466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C2=NOC3=C2C=CC(=C3Cl)OCC(=O)O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C2=NOC3=C2C=CC(=C3Cl)OCC(=O)O)[O-]

InChI

InChI=1S/C14H9ClN2O5/c15-12-10(21-7-11(18)19)5-4-8-13(16-22-14(8)12)9-3-1-2-6-17(9)20/h1-6H,7H2,(H,18,19)