2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C12H12N3O3+ MolecularWeight: 246.24198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N3O3/c1-13-6-7-14(9-13)8-12(16)10-2-4-11(5-3-10)15(17)18/h2-7,9H,8H2,1H3/q+1