2-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-carbamoyl-2-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)methylthio]propanoic acid IUPAC Name: 2-[(4-carbamoyl-2-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-carbamoyl-2-nitro-benzyl)thio]propionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

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