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

Systemtic Name: [(5S)-3-cyclopropyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-2-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(CC(=N2)C3CC3)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2[C@](CC(=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/h4-6,9,23H,2-3,7H2,1H3/t14-/m0/s1