6-azanyl-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid

Systemtic Name: 6-azanyl-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid Openeye Name: 6-amino-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid CAS Name: 6-amino-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid IUPAC Name: 6-amino-2-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid Traditional Name: 6-amino-2-(7-nitrobenzofurazan-4-yl)hexanoic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])C(CCCCN)C(=O)O

Isomeric SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])C(CCCCN)C(=O)O

InChI

InChI=1S/C12H14N4O5/c13-6-2-1-3-8(12(17)18)7-4-5-9(16(19)20)11-10(7)14-21-15-11/h4-5,8H,1-3,6,13H2,(H,17,18)