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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4S/c1-7(12(15)16)19-11-5-2-8-6-9(14(17)18)3-4-10(8)13-11/h2-7H,1H3,(H,15,16)