methyl 2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate

Systemtic Name: methyl 2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: methyl 2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid methyl ester Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

Isomeric SMILES

COC(=O)CNC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

InChI

InChI=1S/C13H11ClN2O4/c1-20-9(17)6-15-13(19)10-11(18)7-4-2-3-5-8(7)12(14)16-10/h2-5,18H,6H2,1H3,(H,15,19)