2-bromanyl-2-ethyl-1H-quinoline-3,4-dicarboxylic acid

Systemtic Name: 2-bromanyl-2-ethyl-1H-quinoline-3,4-dicarboxylic acid Openeye Name: 2-bromo-2-ethyl-1H-quinoline-3,4-dicarboxylic acid CAS Name: 2-bromo-2-ethyl-1H-quinoline-3,4-dicarboxylic acid IUPAC Name: 2-bromo-2-ethyl-1H-quinoline-3,4-dicarboxylic acid Traditional Name: 2-bromo-2-ethyl-1H-quinoline-3,4-dicarboxylic acid Formula: C13H12BrNO4 MolecularWeight: 326.14268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(C2=CC=CC=C2N1)C(=O)O)C(=O)O)Br

Isomeric SMILES

CCC1(C(=C(C2=CC=CC=C2N1)C(=O)O)C(=O)O)Br

InChI

InChI=1S/C13H12BrNO4/c1-2-13(14)10(12(18)19)9(11(16)17)7-5-3-4-6-8(7)15-13/h3-6,15H,2H2,1H3,(H,16,17)(H,18,19)