1-[3,4-bis(oxidanyl)phenyl]-2-(pyridin-2-ylamino)ethanone chloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(pyridin-2-ylamino)ethanone chloride Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyridylamino)ethanone chloride CAS Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyridinylamino)ethanone chloride IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone chloride Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(2-pyridylamino)ethanone chloride Formula: C13H12ClN2O3- MolecularWeight: 279.69898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCC(=O)C2=CC(=C(C=C2)O)O.[Cl-]

Isomeric SMILES

C1=CC=NC(=C1)NCC(=O)C2=CC(=C(C=C2)O)O.[Cl-]

InChI

InChI=1S/C13H12N2O3.ClH/c16-10-5-4-9(7-11(10)17)12(18)8-15-13-3-1-2-6-14-13;/h1-7,16-17H,8H2,(H,14,15);1H/p-1