ethyl 2-(4-nitroimidazol-1-yl)octanoate

Systemtic Name: ethyl 2-(4-nitroimidazol-1-yl)octanoate Openeye Name: ethyl 2-(4-nitroimidazol-1-yl)octanoate CAS Name: 2-(4-nitro-1-imidazolyl)octanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitroimidazol-1-yl)octanoate Traditional Name: 2-(4-nitroimidazol-1-yl)caprylic acid ethyl ester Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O4/c1-3-5-6-7-8-11(13(17)20-4-2)15-9-12(14-10-15)16(18)19/h9-11H,3-8H2,1-2H3