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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCCC1=NC=CN1)(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCC(CCCCCCCCCC1=NC=CN1)(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H41ClN4O2/c1-2-3-4-5-10-13-18-28(23-30,25-17-16-24(33(34)35)22-26(25)29)19-14-11-8-6-7-9-12-15-27-31-20-21-32-27/h16-17,20-22H,2-15,18-19H2,1H3,(H,31,32)