(2S)-2-acetamido-3-[(4-nitrophenyl)diazenyl]sulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-[(4-nitrophenyl)diazenyl]sulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-(4-nitrophenyl)azosulfanyl-propanoate CAS Name: (2S)-2-acetamido-3-[(4-nitrophenyl)azothio]propanoate IUPAC Name: (2S)-2-acetamido-3-[(4-nitrophenyl)diazenyl]sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[(4-nitrophenyl)azothio]propionate Formula: C11H11N4O5S- MolecularWeight: 311.29384

Click to see the large picture

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)N[C@H](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)/p-1/t10-/m1/s1