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

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]propionic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6S/c14-5-9(11(16)17)12-10(15)6-20-8-3-1-7(2-4-8)13(18)19/h1-4,9,14H,5-6H2,(H,12,15)(H,16,17)