(3-nitrophenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: (3-nitrophenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Openeye Name: (3-nitrophenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carboxylic acid (3-nitrophenyl) ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4/c1-21(2,3)19-12-18(24(23-19)13-14-7-9-15(22)10-8-14)20(26)29-17-6-4-5-16(11-17)25(27)28/h4-12H,13H2,1-3H3