6-(3-chloranyl-2-oxidanyl-propoxy)-7-oxidanyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-(3-chloranyl-2-oxidanyl-propoxy)-7-oxidanyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-(3-chloro-2-hydroxy-propoxy)-7-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-(3-chloro-2-hydroxypropoxy)-7-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-(3-chloro-2-hydroxypropoxy)-7-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-hydroxy-propoxy)-7-hydroxy-4-keto-1H-quinoline-3-carboxylic acid Formula: C13H12ClNO6 MolecularWeight: 313.69048

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1OCC(CCl)O)O)NC=C(C2=O)C(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1OCC(CCl)O)O)NC=C(C2=O)C(=O)O

InChI

InChI=1S/C13H12ClNO6/c14-3-6(16)5-21-11-1-7-9(2-10(11)17)15-4-8(12(7)18)13(19)20/h1-2,4,6,16-17H,3,5H2,(H,15,18)(H,19,20)