2-[[1-cyano-4,7-bis(oxidanyl)isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-cyano-4,7-bis(oxidanyl)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-cyano-4,7-dihydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4,7-dihydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4,7-dihydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-cyano-4,7-dihydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H9N3O5 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=NC(=C2C=C1O)C#N)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC2=C(C(=NC(=C2C=C1O)C#N)C(=O)NCC(=O)O)O

InChI

InChI=1S/C13H9N3O5/c14-4-9-8-3-6(17)1-2-7(8)12(20)11(16-9)13(21)15-5-10(18)19/h1-3,17,20H,5H2,(H,15,21)(H,18,19)