6-bromanyl-3-ethanoyl-2-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3-ethanoyl-2-methyl-quinoline-4-carboxylic acid Openeye Name: 3-acetyl-6-bromo-2-methyl-quinoline-4-carboxylic acid CAS Name: 3-acetyl-6-bromo-2-methyl-4-quinolinecarboxylic acid IUPAC Name: 3-acetyl-6-bromo-2-methylquinoline-4-carboxylic acid Traditional Name: 3-acetyl-6-bromo-2-methyl-cinchoninic acid Formula: C13H10BrNO3 MolecularWeight: 308.1274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)C(=O)C

InChI

InChI=1S/C13H10BrNO3/c1-6-11(7(2)16)12(13(17)18)9-5-8(14)3-4-10(9)15-6/h3-5H,1-2H3,(H,17,18)