4-acetamido-6-bromanyl-quinoline-2-carboxylic acid

Systemtic Name: 4-acetamido-6-bromanyl-quinoline-2-carboxylic acid Openeye Name: 4-acetamido-6-bromo-quinoline-2-carboxylic acid CAS Name: 4-acetamido-6-bromo-2-quinolinecarboxylic acid IUPAC Name: 4-acetamido-6-bromoquinoline-2-carboxylic acid Traditional Name: 4-acetamido-6-bromo-quinaldic acid Formula: C12H9BrN2O3 MolecularWeight: 309.11546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=NC2=C1C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=NC2=C1C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H9BrN2O3/c1-6(16)14-10-5-11(12(17)18)15-9-3-2-7(13)4-8(9)10/h2-5H,1H3,(H,17,18)(H,14,15,16)