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

Systemtic Name: methyl 2-(4-nitroimidazol-1-yl)octanoate Openeye Name: methyl 2-(4-nitroimidazol-1-yl)octanoate CAS Name: 2-(4-nitro-1-imidazolyl)octanoic acid methyl ester IUPAC Name: methyl 2-(4-nitroimidazol-1-yl)octanoate Traditional Name: 2-(4-nitroimidazol-1-yl)caprylic acid methyl ester Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4/c1-3-4-5-6-7-10(12(16)19-2)14-8-11(13-9-14)15(17)18/h8-10H,3-7H2,1-2H3