N-[1,3-bis(oxidanyl)propan-2-yl]-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxamide

Systemtic Name: N-[1,3-bis(oxidanyl)propan-2-yl]-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxamide Openeye Name: 1-chloro-4-hydroxy-N-[2-hydroxy-1-(hydroxymethyl)ethyl]isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(1,3-dihydroxypropan-2-yl)-4-hydroxy-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(1,3-dihydroxypropan-2-yl)-4-hydroxyisoquinoline-3-carboxamide Traditional Name: 1-chloro-4-hydroxy-N-(2-hydroxy-1-methylol-ethyl)isoquinoline-3-carboxamide Formula: C13H13ClN2O4 MolecularWeight: 296.70632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NC(CO)CO)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NC(CO)CO)O

InChI

InChI=1S/C13H13ClN2O4/c14-12-9-4-2-1-3-8(9)11(19)10(16-12)13(20)15-7(5-17)6-18/h1-4,7,17-19H,5-6H2,(H,15,20)