5-tert-butyl-2-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-2-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide CAS Name: 5-tert-butyl-2-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-2-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-2-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide Formula: C16H17F3N4O3 MolecularWeight: 370.32639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C16H17F3N4O3/c1-15(2,3)13-8-12(22(4)21-13)14(24)20-11-6-5-9(23(25)26)7-10(11)16(17,18)19/h5-8H,1-4H3,(H,20,24)