2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)acetamide Formula: C12H15BrN6O3 MolecularWeight: 371.1899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCCN2C=CN=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCCN2C=CN=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H15BrN6O3/c1-9-11(13)12(19(21)22)16-18(9)7-10(20)15-3-2-5-17-6-4-14-8-17/h4,6,8H,2-3,5,7H2,1H3,(H,15,20)