3-(4-acetamidophenyl)-5-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-dihydropyrazole-5-carboxamide

Systemtic Name: 3-(4-acetamidophenyl)-5-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-dihydropyrazole-5-carboxamide Openeye Name: 3-(4-acetamidophenyl)-5-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-dihydropyrazole-5-carboxamide CAS Name: 3-(4-acetamidophenyl)-5-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-dihydropyrazole-5-carboxamide IUPAC Name: 3-(4-acetamidophenyl)-5-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-1,4-dihydropyrazole-5-carboxamide Traditional Name: 5-(4-acetamidophenyl)-3-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-pyrazoline-3-carboxamide Formula: C20H18F3N5O4 MolecularWeight: 449.38323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NNC(C2)(C)C(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NNC(C2)(C)C(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H18F3N5O4/c1-11(29)24-13-5-3-12(4-6-13)16-10-19(2,27-26-16)18(30)25-14-7-8-17(28(31)32)15(9-14)20(21,22)23/h3-9,27H,10H2,1-2H3,(H,24,29)(H,25,30)