2-acetamido-3-[(4-nitrophenyl)diazenyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[(4-nitrophenyl)diazenyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(4-nitrophenyl)azosulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(4-nitrophenyl)azothio]propanoic acid IUPAC Name: 2-acetamido-3-[(4-nitrophenyl)diazenyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(4-nitrophenyl)azothio]propionic acid Formula: C11H12N4O5S MolecularWeight: 312.30178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSN=NC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC(CSN=NC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N4O5S/c1-7(16)12-10(11(17)18)6-21-14-13-8-2-4-9(5-3-8)15(19)20/h2-5,10H,6H2,1H3,(H,12,16)(H,17,18)