2-(2-chloranyl-4-nitro-phenyl)-11-imidazol-1-yl-2-octyl-undecanenitrile

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)-11-imidazol-1-yl-2-octyl-undecanenitrile Openeye Name: 2-(2-chloro-4-nitro-phenyl)-11-imidazol-1-yl-2-octyl-undecanenitrile CAS Name: 2-(2-chloro-4-nitrophenyl)-11-(1-imidazolyl)-2-octylundecanenitrile IUPAC Name: 2-(2-chloro-4-nitrophenyl)-11-imidazol-1-yl-2-octylundecanenitrile Traditional Name: 2-(2-chloro-4-nitro-phenyl)-11-imidazol-1-yl-2-octyl-undecanenitrile Formula: C28H41ClN4O2 MolecularWeight: 501.10374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCCN1C=CN=C1)(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCC(CCCCCCCCCN1C=CN=C1)(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H41ClN4O2/c1-2-3-4-5-9-12-17-28(23-30,26-16-15-25(33(34)35)22-27(26)29)18-13-10-7-6-8-11-14-20-32-21-19-31-24-32/h15-16,19,21-22,24H,2-14,17-18,20H2,1H3