ethyl 2-(5-nitrobenzimidazol-1-yl)octanoate

Systemtic Name: ethyl 2-(5-nitrobenzimidazol-1-yl)octanoate Openeye Name: ethyl 2-(5-nitrobenzimidazol-1-yl)octanoate CAS Name: 2-(5-nitro-1-benzimidazolyl)octanoic acid ethyl ester IUPAC Name: ethyl 2-(5-nitrobenzimidazol-1-yl)octanoate Traditional Name: 2-(5-nitrobenzimidazol-1-yl)caprylic acid ethyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)N1C=NC2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)OCC)N1C=NC2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-3-5-6-7-8-16(17(21)24-4-2)19-12-18-14-11-13(20(22)23)9-10-15(14)19/h9-12,16H,3-8H2,1-2H3