6-bromanyl-2-[4-(carboxymethyloxy)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-(carboxymethyloxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-(carboxymethyloxy)phenyl]cinchoninic acid Formula: C18H12BrNO5 MolecularWeight: 402.19558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OCC(=O)O

InChI

InChI=1S/C18H12BrNO5/c19-11-3-6-15-13(7-11)14(18(23)24)8-16(20-15)10-1-4-12(5-2-10)25-9-17(21)22/h1-8H,9H2,(H,21,22)(H,23,24)