(2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: (2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-phenyl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (2-nitrobenzyl) ester Formula: C21H13F3N4O4 MolecularWeight: 442.34753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)OCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)OCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N4O4/c22-21(23,24)18-10-16(13-6-2-1-3-7-13)26-19-15(11-25-27(18)19)20(29)32-12-14-8-4-5-9-17(14)28(30)31/h1-11H,12H2