[3-cyclohexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3-cyclohexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone Openeye Name: [3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-nitrophenyl)methanone Formula: C17H18F3N3O4 MolecularWeight: 385.33773

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N3O4/c18-17(19,20)16(25)10-14(11-4-2-1-3-5-11)21-22(16)15(24)12-6-8-13(9-7-12)23(26)27/h6-9,11,25H,1-5,10H2