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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)SCCC(=O)O)[N+](=O)[O-]

InChI

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