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

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

CC(C(=O)O)SC1=C(C=C2C(=C1)CCC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C2C(=C1)CCC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5S/c1-6(12(16)17)20-10-4-7-2-3-11(15)13-8(7)5-9(10)14(18)19/h4-6H,2-3H2,1H3,(H,13,15)(H,16,17)