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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-hydroxy-5-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitro-phenyl)propionamide Formula: C14H12BrF3N4O4 MolecularWeight: 437.16869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C(F)(F)F)Br

InChI

InChI=1S/C14H12BrF3N4O4/c1-7-12(15)13(14(16,17)18)20-21(7)5-4-11(24)19-9-6-8(22(25)26)2-3-10(9)23/h2-3,6,23H,4-5H2,1H3,(H,19,24)