3-(5-nitroquinolin-6-yl)sulfanylpropanoic acid

Systemtic Name: 3-(5-nitroquinolin-6-yl)sulfanylpropanoic acid Openeye Name: 3-[(5-nitro-6-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(5-nitro-6-quinolinyl)thio]propanoic acid IUPAC Name: 3-(5-nitroquinolin-6-yl)sulfanylpropanoic acid Traditional Name: 3-[(5-nitro-6-quinolyl)thio]propionic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2[N+](=O)[O-])SCCC(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2[N+](=O)[O-])SCCC(=O)O)N=C1

InChI

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