2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine; hypochlorous acid

Systemtic Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine; hypochlorous acid Openeye Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine; hypochlorous acid CAS Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-1-benzimidazolyl]-N,N-diethylethanamine; hypochlorous acid IUPAC Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine; hypochlorous acid Traditional Name: 2-[2-(4-ethoxybenzyl)-5-nitro-benzimidazol-1-yl]ethyl-diethyl-amine; hypochlorous acid Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC.OCl

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC.OCl

InChI

InChI=1S/C22H28N4O3.ClHO/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3;1-2/h7-12,16H,4-6,13-15H2,1-3H3;2H