6-chloranyl-2-ethyl-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-chloranyl-2-ethyl-8-methyl-quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-ethyl-8-methyl-quinoline-4-carboxylic acid CAS Name: 6-chloro-2-ethyl-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-ethyl-8-methylquinoline-4-carboxylic acid Traditional Name: 6-chloro-2-ethyl-8-methyl-cinchoninic acid Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2C(=C1)C(=O)O)Cl)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2C(=C1)C(=O)O)Cl)C

InChI

InChI=1S/C13H12ClNO2/c1-3-9-6-11(13(16)17)10-5-8(14)4-7(2)12(10)15-9/h4-6H,3H2,1-2H3,(H,16,17)