(2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid

Systemtic Name: (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid Openeye Name: (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid CAS Name: (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid IUPAC Name: (2S)-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]propanoic acid Traditional Name: (2S)-2-[(4-nitropiazthiol-5-yl)amino]propionic acid Formula: C9H8N4O4S MolecularWeight: 268.24922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C2=NSN=C2C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)O)NC1=C(C2=NSN=C2C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4S/c1-4(9(14)15)10-6-3-2-5-7(12-18-11-5)8(6)13(16)17/h2-4,10H,1H3,(H,14,15)/t4-/m0/s1