5-bromanyl-2-ethyl-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 5-bromanyl-2-ethyl-3-methyl-quinoline-4-carboxylic acid Openeye Name: 5-bromo-2-ethyl-3-methyl-quinoline-4-carboxylic acid CAS Name: 5-bromo-2-ethyl-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 5-bromo-2-ethyl-3-methylquinoline-4-carboxylic acid Traditional Name: 5-bromo-2-ethyl-3-methyl-cinchoninic acid Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=N1)C=CC=C2Br)C(=O)O)C

Isomeric SMILES

CCC1=C(C(=C2C(=N1)C=CC=C2Br)C(=O)O)C

InChI

InChI=1S/C13H12BrNO2/c1-3-9-7(2)11(13(16)17)12-8(14)5-4-6-10(12)15-9/h4-6H,3H2,1-2H3,(H,16,17)