4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-ethyl-imidazole dinitrate dihydrate

Systemtic Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-ethyl-imidazole dinitrate dihydrate Openeye Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-ethyl-imidazole dinitrate dihydrate CAS Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-ethylimidazole dinitrate dihydrate IUPAC Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-ethylimidazole dinitrate dihydrate Traditional Name: 4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-ethyl-imidazole dinitrate dihydrate Formula: C25H28Cl2N6O11-2 MolecularWeight: 659.42942

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(N=C1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O

Isomeric SMILES

CCN1C=C(N=C1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O

InChI

InChI=1S/C25H24Cl2N4O3.2NO3.2H2O/c1-2-30-12-24(29-17-30)18-3-6-20(7-4-18)32-13-21-14-33-25(34-21,15-31-10-9-28-16-31)22-8-5-19(26)11-23(22)27;2*2-1(3)4;;/h3-12,16-17,21H,2,13-15H2,1H3;;;2*1H2/q;2*-1;;