2-(4-nitroimidazol-1-yl)octanoic acid

Systemtic Name: 2-(4-nitroimidazol-1-yl)octanoic acid Openeye Name: 2-(4-nitroimidazol-1-yl)octanoic acid CAS Name: 2-(4-nitro-1-imidazolyl)octanoic acid IUPAC Name: 2-(4-nitroimidazol-1-yl)octanoic acid Traditional Name: 2-(4-nitroimidazol-1-yl)caprylic acid Formula: C11H17N3O4 MolecularWeight: 255.27038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H17N3O4/c1-2-3-4-5-6-9(11(15)16)13-7-10(12-8-13)14(17)18/h7-9H,2-6H2,1H3,(H,15,16)