6-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]hexanoate

Systemtic Name: 6-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]hexanoate Openeye Name: 6-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]hexanoate CAS Name: 6-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]hexanoate IUPAC Name: 6-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]hexanoate Traditional Name: 6-[(4-nitropiazthiol-5-yl)amino]hexanoate Formula: C12H13N4O4S- MolecularWeight: 309.32102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1NCCCCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1NCCCCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c17-10(18)4-2-1-3-7-13-9-6-5-8-11(15-21-14-8)12(9)16(19)20/h5-6,13H,1-4,7H2,(H,17,18)/p-1