3-[(7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfanyl]propanoic acid Openeye Name: 3-[(7-nitro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfanyl]propanoic acid CAS Name: 3-[(7-nitro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)thio]propanoic acid IUPAC Name: 3-[(7-nitro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfanyl]propanoic acid Traditional Name: 3-[(2-keto-7-nitro-3,4-dihydro-1H-quinolin-6-yl)thio]propionic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=CC(=C(C=C21)SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NC2=CC(=C(C=C21)SCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5S/c15-11-2-1-7-5-10(20-4-3-12(16)17)9(14(18)19)6-8(7)13-11/h5-6H,1-4H2,(H,13,15)(H,16,17)