2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid

Systemtic Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid Openeye Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid CAS Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid IUPAC Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid Traditional Name: 2-[(7-nitrobenzofurazan-4-yl)amino]hexanoic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=CC=C(C2=NON=C12)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC1=CC=C(C2=NON=C12)[N+](=O)[O-]

InChI

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