2-[(7-nitro-1,2,3-benzoxadiazol-6-yl)amino]hexanoic acid

Systemtic Name: 2-[(7-nitro-1,2,3-benzoxadiazol-6-yl)amino]hexanoic acid Openeye Name: 2-[(7-nitro-1,2,3-benzoxadiazol-6-yl)amino]hexanoic acid CAS Name: 2-[(7-nitro-1,2,3-benzoxadiazol-6-yl)amino]hexanoic acid IUPAC Name: 2-[(7-nitro-1,2,3-benzoxadiazol-6-yl)amino]hexanoic acid Traditional Name: 2-[(7-nitro-1,2,3-benzoxadiazol-6-yl)amino]hexanoic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=C(C2=C(C=C1)N=NO2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC1=C(C2=C(C=C1)N=NO2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c1-2-3-4-9(12(17)18)13-7-5-6-8-11(21-15-14-8)10(7)16(19)20/h5-6,9,13H,2-4H2,1H3,(H,17,18)