N-(2,1,3-benzoxadiazol-4-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(2,1,3-benzoxadiazol-4-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(2,1,3-benzoxadiazol-4-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-(2,1,3-benzoxadiazol-4-yl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(2,1,3-benzoxadiazol-4-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-benzofurazan-4-yl-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C12H9BrN6O4 MolecularWeight: 381.14166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC3=NON=C32)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC3=NON=C32)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN6O4/c1-6-10(13)12(19(21)22)15-18(6)5-9(20)14-7-3-2-4-8-11(7)17-23-16-8/h2-4H,5H2,1H3,(H,14,20)