2-(3-chloranylisoquinolin-1-yl)ethanoic acid

Systemtic Name: 2-(3-chloranylisoquinolin-1-yl)ethanoic acid Openeye Name: 2-(3-chloro-1-isoquinolyl)acetic acid CAS Name: 2-(3-chloro-1-isoquinolinyl)acetic acid IUPAC Name: 2-(3-chloroisoquinolin-1-yl)acetic acid Traditional Name: 2-(3-chloro-1-isoquinolyl)acetic acid Formula: C11H8ClNO2 MolecularWeight: 221.63972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2CC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2CC(=O)O)Cl

InChI

InChI=1S/C11H8ClNO2/c12-10-5-7-3-1-2-4-8(7)9(13-10)6-11(14)15/h1-5H,6H2,(H,14,15)