5-methyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C20H17F3N4O4 MolecularWeight: 434.36859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H17F3N4O4/c1-12-17(10-25-26(12)16-4-2-3-14(9-16)20(21,22)23)19(29)24-11-18(28)13-5-7-15(8-6-13)27(30)31/h2-10,18,28H,11H2,1H3,(H,24,29)