2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)acetamide Formula: C14H14BrN6O3+ MolecularWeight: 394.20336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=[N+](C3=CC=CC=C3N2)C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=[N+](C3=CC=CC=C3N2)C)[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN6O3/c1-8-12(15)13(21(23)24)18-20(8)7-11(22)17-14-16-9-5-3-4-6-10(9)19(14)2/h3-6H,7H2,1-2H3,(H,16,17,22)/p+1