3-(8-nitroisoquinolin-5-yl)sulfanylpropanoic acid

Systemtic Name: 3-(8-nitroisoquinolin-5-yl)sulfanylpropanoic acid Openeye Name: 3-[(8-nitro-5-isoquinolyl)sulfanyl]propanoic acid CAS Name: 3-[(8-nitro-5-isoquinolinyl)thio]propanoic acid IUPAC Name: 3-(8-nitroisoquinolin-5-yl)sulfanylpropanoic acid Traditional Name: 3-[(8-nitro-5-isoquinolyl)thio]propionic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C12H10N2O4S/c15-12(16)4-6-19-11-2-1-10(14(17)18)9-7-13-5-3-8(9)11/h1-3,5,7H,4,6H2,(H,15,16)