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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O5S/c1-7(11(15)16)12-10(14)6-19-9-4-2-8(3-5-9)13(17)18/h2-5,7H,6H2,1H3,(H,12,14)(H,15,16)