[5-cyclopropyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [5-cyclopropyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazolin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Formula: C15H14F3N3O4 MolecularWeight: 357.28457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2C(C=C(N2)C3CC3)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2C(C=C(N2)C3CC3)(C(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14F3N3O4/c1-8-6-10(4-5-12(8)21(24)25)13(22)20-14(23,15(16,17)18)7-11(19-20)9-2-3-9/h4-7,9,19,23H,2-3H2,1H3