2-acetamido-3-(2-nitrophenyl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(2-nitrophenyl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2-nitrophenyl)thio]propionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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