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

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]-2-methyl-propanoic acid CAS Name: 2-[[(1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]-2-methylpropanoic acid Traditional Name: 2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]-2-methyl-propionic acid Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

InChI

InChI=1S/C14H13ClN2O4/c1-14(2,13(20)21)17-12(19)9-10(18)7-5-3-4-6-8(7)11(15)16-9/h3-6,18H,1-2H3,(H,17,19)(H,20,21)