3-bromanyl-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C21H13BrF3N5O4 MolecularWeight: 536.25823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H13BrF3N5O4/c1-34-14-8-12(7-13(9-14)30(32)33)26-20(31)18-17(22)19-27-15(11-5-3-2-4-6-11)10-16(21(23,24)25)29(19)28-18/h2-10H,1H3,(H,26,31)