3-(6-nitroquinolin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(6-nitroquinolin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(6-nitro-2-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(6-nitro-2-quinolinyl)thio]propanoic acid IUPAC Name: 3-(6-nitroquinolin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-nitro-2-quinolyl)thio]propionic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=N2)SCCC(=O)O)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=N2)SCCC(=O)O)C=C1[N+](=O)[O-]

InChI

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