6-tert-butyl-2-[4-chloranyl-3-[(2-nitrophenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride

Systemtic Name: 6-tert-butyl-2-[4-chloranyl-3-[(2-nitrophenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride Openeye Name: 6-tert-butyl-2-[4-chloro-3-[(2-nitrophenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride CAS Name: 6-tert-butyl-2-[4-chloro-3-[(2-nitrophenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride IUPAC Name: 6-tert-butyl-2-[4-chloro-3-[(2-nitrophenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride Traditional Name: 6-tert-butyl-2-[4-chloro-3-(2-nitrobenzyl)oxy-phenyl]-1H-benzimidazole hydrochloride Formula: C24H23Cl2N3O3 MolecularWeight: 472.36372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)OCC4=CC=CC=C4[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)OCC4=CC=CC=C4[N+](=O)[O-].Cl

InChI

InChI=1S/C24H22ClN3O3.ClH/c1-24(2,3)17-9-11-19-20(13-17)27-23(26-19)15-8-10-18(25)22(12-15)31-14-16-6-4-5-7-21(16)28(29)30;/h4-13H,14H2,1-3H3,(H,26,27);1H