2-(5-bromanyl-2-ethanoyl-1H-isoquinolin-1-yl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-2-ethanoyl-1H-isoquinolin-1-yl)ethanoic acid Openeye Name: 2-(2-acetyl-5-bromo-1H-isoquinolin-1-yl)acetic acid CAS Name: 2-(2-acetyl-5-bromo-1H-isoquinolin-1-yl)acetic acid IUPAC Name: 2-(2-acetyl-5-bromo-1H-isoquinolin-1-yl)acetic acid Traditional Name: 2-(2-acetyl-5-bromo-1H-isoquinolin-1-yl)acetic acid Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=C(C1CC(=O)O)C=CC=C2Br

Isomeric SMILES

CC(=O)N1C=CC2=C(C1CC(=O)O)C=CC=C2Br

InChI

InChI=1S/C13H12BrNO3/c1-8(16)15-6-5-9-10(3-2-4-11(9)14)12(15)7-13(17)18/h2-6,12H,7H2,1H3,(H,17,18)