2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]propionic acid Formula: C11H11NO5S MolecularWeight: 269.27374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5S/c1-7(11(14)15)18-6-10(13)8-2-4-9(5-3-8)12(16)17/h2-5,7H,6H2,1H3,(H,14,15)