3-[2-(4-nitrophenyl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-nitrophenyl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[(4-nitrophenyl)thio]acetyl]amino]propionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c14-10(12-6-5-11(15)16)7-19-9-3-1-8(2-4-9)13(17)18/h1-4H,5-7H2,(H,12,14)(H,15,16)