(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoic acid

Systemtic Name: (2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoic acid Openeye Name: (2S)-2-(7-chloro-1-oxo-2-isoquinolyl)butanoic acid CAS Name: (2S)-2-(7-chloro-1-oxo-2-isoquinolinyl)butanoic acid IUPAC Name: (2S)-2-(7-chloro-1-oxoisoquinolin-2-yl)butanoic acid Traditional Name: (2S)-2-(7-chloro-1-keto-2-isoquinolyl)butyric acid Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=CC2=C(C1=O)C=C(C=C2)Cl

Isomeric SMILES

CC[C@@H](C(=O)O)N1C=CC2=C(C1=O)C=C(C=C2)Cl

InChI

InChI=1S/C13H12ClNO3/c1-2-11(13(17)18)15-6-5-8-3-4-9(14)7-10(8)12(15)16/h3-7,11H,2H2,1H3,(H,17,18)/t11-/m0/s1