N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5-fluoranyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5-fluoro-2-nitro-phenoxy)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(5-fluoro-2-nitrophenoxy)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(5-fluoro-2-nitrophenoxy)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5-fluoro-2-nitro-phenoxy)acetamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21FN4O4/c1-21(2,3)18-12-19(25(24-18)15-7-5-4-6-8-15)23-20(27)13-30-17-11-14(22)9-10-16(17)26(28)29/h4-12H,13H2,1-3H3,(H,23,27)