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

Systemtic Name: 6-azanyl-2-[1,2,3-benzoxadiazol-4-yl(nitro)amino]hexanoic acid Openeye Name: 6-amino-2-[1,2,3-benzoxadiazol-4-yl(nitro)amino]hexanoic acid CAS Name: 6-amino-2-[1,2,3-benzoxadiazol-4-yl(nitro)amino]hexanoic acid IUPAC Name: 6-amino-2-[1,2,3-benzoxadiazol-4-yl(nitro)amino]hexanoic acid Traditional Name: 6-amino-2-[1,2,3-benzoxadiazol-4-yl(nitro)amino]hexanoic acid Formula: C12H15N5O5 MolecularWeight: 309.278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)ON=N2)N(C(CCCCN)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)ON=N2)N(C(CCCCN)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O5/c13-7-2-1-4-9(12(18)19)16(17(20)21)8-5-3-6-10-11(8)14-15-22-10/h3,5-6,9H,1-2,4,7,13H2,(H,18,19)