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

Systemtic Name: (2-nitrophenyl)methyl 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: (2-nitrophenyl)methyl 5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (2-nitrobenzyl) ester Formula: C19H11F3N4O4S MolecularWeight: 448.37525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C19H11F3N4O4S/c20-19(21,22)16-8-13(15-6-3-7-31-15)24-17-12(9-23-25(16)17)18(27)30-10-11-4-1-2-5-14(11)26(28)29/h1-9H,10H2