N-methyl-N-(3-methylimidazol-3-ium-1-yl)-4-nitro-benzamide iodide

Systemtic Name: N-methyl-N-(3-methylimidazol-3-ium-1-yl)-4-nitro-benzamide iodide Openeye Name: N-methyl-N-(3-methylimidazol-3-ium-1-yl)-4-nitro-benzamide iodide CAS Name: N-methyl-N-(3-methyl-1-imidazol-3-iumyl)-4-nitrobenzamide iodide IUPAC Name: N-methyl-N-(3-methylimidazol-3-ium-1-yl)-4-nitrobenzamide iodide Traditional Name: N-methyl-N-(3-methylimidazol-3-ium-1-yl)-4-nitro-benzamide iodide Formula: C12H13IN4O3 MolecularWeight: 388.16109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[I-]

InChI

InChI=1S/C12H13N4O3.HI/c1-13-7-8-15(9-13)14(2)12(17)10-3-5-11(6-4-10)16(18)19;/h3-9H,1-2H3;1H/q+1;/p-1