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

Systemtic Name: 6-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid Openeye Name: 6-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid CAS Name: 6-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid IUPAC Name: 6-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexanoic acid Traditional Name: 6-(7-nitrobenzofurazan-4-yl)hexanoic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c16-10(17)5-3-1-2-4-8-6-7-9(15(18)19)12-11(8)13-20-14-12/h6-7H,1-5H2,(H,16,17)