1-[5-(4-ethylphenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[5-(4-ethylphenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2(CC(=NN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2(CC(=NN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C20H18F3N3O4/c1-2-13-3-7-15(8-4-13)19(28)12-17(20(21,22)23)24-25(19)18(27)11-14-5-9-16(10-6-14)26(29)30/h3-10,28H,2,11-12H2,1H3