(4-nitrophenyl) 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoate

Systemtic Name: (4-nitrophenyl) 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoate Openeye Name: (4-nitrophenyl) 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoate CAS Name: 4-[(3-methyl-1-imidazol-3-iumyl)methyl]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoate Traditional Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]benzoic acid (4-nitrophenyl) ester Formula: C18H16N3O4+ MolecularWeight: 338.33734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N3O4/c1-19-10-11-20(13-19)12-14-2-4-15(5-3-14)18(22)25-17-8-6-16(7-9-17)21(23)24/h2-11,13H,12H2,1H3/q+1