(4-nitrophenyl)methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-thiophen-2-yl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (4-nitrobenzyl) ester Formula: C18H12N4O4S MolecularWeight: 380.37728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=NC3=C(C=NN23)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC=NC3=C(C=NN23)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S/c23-18(26-11-12-3-5-13(6-4-12)22(24)25)14-10-20-21-15(7-8-19-17(14)21)16-2-1-9-27-16/h1-10H,11H2