4-[4-[(4-bromanylphenoxy)methyl]-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-2-yl]benzenecarbonitrile nitrate

Systemtic Name: 4-[4-[(4-bromanylphenoxy)methyl]-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-2-yl]benzenecarbonitrile nitrate Openeye Name: 4-[4-[(4-bromophenoxy)methyl]-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile nitrate CAS Name: 4-[4-[(4-bromophenoxy)methyl]-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile nitrate IUPAC Name: 4-[4-[(4-bromophenoxy)methyl]-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile nitrate Traditional Name: 4-[4-[(4-bromophenoxy)methyl]-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-2-yl]benzonitrile nitrate Formula: C21H18BrN4O6- MolecularWeight: 502.29482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CC2=NC=CN2)C3=CC=C(C=C3)C#N)COC4=CC=C(C=C4)Br.[N+](=O)([O-])[O-]

Isomeric SMILES

C1C(OC(O1)(CC2=NC=CN2)C3=CC=C(C=C3)C#N)COC4=CC=C(C=C4)Br.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H18BrN3O3.NO3/c22-17-5-7-18(8-6-17)26-13-19-14-27-21(28-19,11-20-24-9-10-25-20)16-3-1-15(12-23)2-4-16;2-1(3)4/h1-10,19H,11,13-14H2,(H,24,25);/q;-1