[(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone

Systemtic Name: [(3R)-5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone Openeye Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone CAS Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone IUPAC Name: [(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone Traditional Name: [(5R)-3-butyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C15H16F3N3O4 MolecularWeight: 359.30045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(N(N1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CCCCC1=C[C@](N(N1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C15H16F3N3O4/c1-2-3-6-11-9-14(23,15(16,17)18)20(19-11)13(22)10-5-4-7-12(8-10)21(24)25/h4-5,7-9,19,23H,2-3,6H2,1H3/t14-/m1/s1