2-(4-nitro-1,2-dihydroimidazol-3-yl)octanoic acid

Systemtic Name: 2-(4-nitro-1,2-dihydroimidazol-3-yl)octanoic acid Openeye Name: 2-(4-nitro-1,2-dihydroimidazol-3-yl)octanoic acid CAS Name: 2-(4-nitro-1,2-dihydroimidazol-3-yl)octanoic acid IUPAC Name: 2-(4-nitro-1,2-dihydroimidazol-3-yl)octanoic acid Traditional Name: 2-(5-nitro-4-imidazolin-1-yl)caprylic acid Formula: C11H19N3O4 MolecularWeight: 257.28626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1CNC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)O)N1CNC=C1[N+](=O)[O-]

InChI

InChI=1S/C11H19N3O4/c1-2-3-4-5-6-9(11(15)16)13-8-12-7-10(13)14(17)18/h7,9,12H,2-6,8H2,1H3,(H,15,16)