(1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl) hydrogen carbonate

Systemtic Name: (1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl) hydrogen carbonate Openeye Name: (1-chloro-4-hydroxy-6-isopropoxy-3-isoquinolyl) hydrogen carbonate CAS Name: carbonic acid (1-chloro-4-hydroxy-6-propan-2-yloxy-3-isoquinolinyl) ester IUPAC Name: (1-chloro-4-hydroxy-6-propan-2-yloxyisoquinolin-3-yl) hydrogen carbonate Traditional Name: carbonic acid (1-chloro-4-hydroxy-6-isopropoxy-3-isoquinolyl) ester Formula: C13H12ClNO5 MolecularWeight: 297.69108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)OC(=O)O)Cl

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)OC(=O)O)Cl

InChI

InChI=1S/C13H12ClNO5/c1-6(2)19-7-3-4-8-9(5-7)10(16)12(15-11(8)14)20-13(17)18/h3-6,16H,1-2H3,(H,17,18)