2-[2-azanyl-4-(4-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[2-azanyl-4-(4-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[2-amino-4-(4-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[2-amino-4-(4-bromophenyl)-3-methyl-1-imidazol-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-4-(4-bromophenyl)-3-methylimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[2-amino-4-(4-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C18H16BrN4O3+ MolecularWeight: 416.24864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4O3/c1-21-16(12-5-7-14(19)8-6-12)10-22(18(21)20)11-17(24)13-3-2-4-15(9-13)23(25)26/h2-10,20H,11H2,1H3/p+1