2-[(6-chloranyl-1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(6-chloranyl-1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(6-chloro-1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6-chloro-1-cyano-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-chloro-1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(6-chloro-1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C13H8ClN3O4 MolecularWeight: 305.67332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C(C(=C2C=C1Cl)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC2=C(N=C(C(=C2C=C1Cl)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C13H8ClN3O4/c14-6-1-2-7-8(3-6)12(20)11(17-9(7)4-15)13(21)16-5-10(18)19/h1-3,20H,5H2,(H,16,21)(H,18,19)