3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]propionic acid Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5S/c13-10(7-18-6-5-11(14)15)8-1-3-9(4-2-8)12(16)17/h1-4H,5-7H2,(H,14,15)