ethyl 5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: ethyl 5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: ethyl 5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5-(4-nitrophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid ethyl ester Formula: C16H11F3N4O4 MolecularWeight: 380.27815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H11F3N4O4/c1-2-27-15(24)12-8-14-20-11(7-13(16(17,18)19)22(14)21-12)9-3-5-10(6-4-9)23(25)26/h3-8H,2H2,1H3