6-bromanyl-2-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-isopropyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-2-isopropyl-cinchoninic acid Formula: C13H12BrNO2 MolecularWeight: 294.14388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)O

InChI

InChI=1S/C13H12BrNO2/c1-7(2)12-6-10(13(16)17)9-5-8(14)3-4-11(9)15-12/h3-7H,1-2H3,(H,16,17)