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

Systemtic Name: (4-nitrophenyl)-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-nitrophenyl)methanone Formula: C14H14F3N3O4 MolecularWeight: 345.27387

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N3O4/c1-2-3-10-8-13(22,14(15,16)17)19(18-10)12(21)9-4-6-11(7-5-9)20(23)24/h4-7,22H,2-3,8H2,1H3