2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide Formula: C13H9BrF3N5O5 MolecularWeight: 452.14027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C13H9BrF3N5O5/c1-6-11(14)12(22(26)27)19-20(6)5-10(23)18-8-3-2-7(13(15,16)17)4-9(8)21(24)25/h2-4H,5H2,1H3,(H,18,23)