6-chloranyl-2-ethyl-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-chloranyl-2-ethyl-3-methyl-quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-ethyl-3-methyl-quinoline-4-carboxylic acid CAS Name: 6-chloro-2-ethyl-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-ethyl-3-methylquinoline-4-carboxylic acid Traditional Name: 6-chloro-2-ethyl-3-methyl-cinchoninic acid Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=C(C=CC2=N1)Cl)C(=O)O)C

Isomeric SMILES

CCC1=C(C(=C2C=C(C=CC2=N1)Cl)C(=O)O)C

InChI

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