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

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

Systemtic Name:2-[(1-cyano-6-methoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid
Openeye Name:2-[(1-cyano-4-hydroxy-6-methoxy-isoquinoline-3-carbonyl)amino]acetic acid
CAS Name:2-[[(1-cyano-4-hydroxy-6-methoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid
IUPAC Name:2-[(1-cyano-4-hydroxy-6-methoxyisoquinoline-3-carbonyl)amino]acetic acid
Traditional Name:2-[(1-cyano-4-hydroxy-6-methoxy-isoquinoline-3-carbonyl)amino]acetic acid
Formula: C14H11N3O5
MolecularWeight: 301.25424
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=NC(=C2C=C1)C#N)C(=O)NCC(=O)O)O


Isomeric SMILES

COC1=CC2=C(C(=NC(=C2C=C1)C#N)C(=O)NCC(=O)O)O


InChI

InChI=1S/C14H11N3O5/c1-22-7-2-3-8-9(4-7)13(20)12(17-10(8)5-15)14(21)16-6-11(18)19/h2-4,20H,6H2,1H3,(H,16,21)(H,18,19)


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