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

Systemtic Name: ethyl 2-(4-nitrobenzimidazol-1-yl)octanoate Openeye Name: ethyl 2-(4-nitrobenzimidazol-1-yl)octanoate CAS Name: 2-(4-nitro-1-benzimidazolyl)octanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrobenzimidazol-1-yl)octanoate Traditional Name: 2-(4-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/c1-3-5-6-7-9-15(17(21)24-4-2)19-12-18-16-13(19)10-8-11-14(16)20(22)23/h8,10-12,15H,3-7,9H2,1-2H3