2-acetamido-3-(4-ethanoyl-2-nitro-phenyl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(4-ethanoyl-2-nitro-phenyl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(4-acetyl-2-nitro-phenyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(4-acetyl-2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(4-acetyl-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(4-acetyl-2-nitro-phenyl)thio]propionic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6S/c1-7(16)9-3-4-12(11(5-9)15(20)21)22-6-10(13(18)19)14-8(2)17/h3-5,10H,6H2,1-2H3,(H,14,17)(H,18,19)