2-[(7-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(7-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(7-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]acetic acid CAS Name: 2-[(7-nitro-2-oxo-1H-quinolin-3-yl)thio]acetic acid IUPAC Name: 2-[(7-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-keto-7-nitro-1H-quinolin-3-yl)thio]acetic acid Formula: C11H8N2O5S MolecularWeight: 280.25662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=C2)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=C2)SCC(=O)O

InChI

InChI=1S/C11H8N2O5S/c14-10(15)5-19-9-3-6-1-2-7(13(17)18)4-8(6)12-11(9)16/h1-4H,5H2,(H,12,16)(H,14,15)