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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4S/c14-7(15)3-4-10-6-2-1-5-8(12-18-11-5)9(6)13(16)17/h1-2,10H,3-4H2,(H,14,15)