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

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(pyridin-1-ium-3-ylmethyl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(pyridin-1-ium-3-ylmethyl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(pyridin-1-ium-3-ylmethyl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(pyridin-1-ium-3-ylmethyl)acetamide Formula: C12H13BrN5O3+ MolecularWeight: 355.16732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=C[NH+]=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=C[NH+]=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12BrN5O3/c1-8-11(13)12(18(20)21)16-17(8)7-10(19)15-6-9-3-2-4-14-5-9/h2-5H,6-7H2,1H3,(H,15,19)/p+1