5-bromanyl-2-ethyl-quinoline-3,4-dicarboxylic acid

Systemtic Name: 5-bromanyl-2-ethyl-quinoline-3,4-dicarboxylic acid Openeye Name: 5-bromo-2-ethyl-quinoline-3,4-dicarboxylic acid CAS Name: 5-bromo-2-ethylquinoline-3,4-dicarboxylic acid IUPAC Name: 5-bromo-2-ethylquinoline-3,4-dicarboxylic acid Traditional Name: 5-bromo-2-ethyl-quinoline-3,4-dicarboxylic acid Formula: C13H10BrNO4 MolecularWeight: 324.1268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrNO4/c1-2-7-10(12(16)17)11(13(18)19)9-6(14)4-3-5-8(9)15-7/h3-5H,2H2,1H3,(H,16,17)(H,18,19)