1-chloranyl-4-oxidanyl-6-propoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 1-chloranyl-4-oxidanyl-6-propoxy-isoquinoline-3-carboxylic acid Openeye Name: 1-chloro-4-hydroxy-6-propoxy-isoquinoline-3-carboxylic acid CAS Name: 1-chloro-4-hydroxy-6-propoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-chloro-4-hydroxy-6-propoxyisoquinoline-3-carboxylic acid Traditional Name: 1-chloro-4-hydroxy-6-propoxy-isoquinoline-3-carboxylic acid Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)O)Cl

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)O)Cl

InChI

InChI=1S/C13H12ClNO4/c1-2-5-19-7-3-4-8-9(6-7)11(16)10(13(17)18)15-12(8)14/h3-4,6,16H,2,5H2,1H3,(H,17,18)