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

Systemtic Name: [3-cyclopropyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C14H12F3N3O4 MolecularWeight: 343.25799

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12F3N3O4/c15-14(16,17)13(22)7-11(8-4-5-8)18-19(13)12(21)9-2-1-3-10(6-9)20(23)24/h1-3,6,8,22H,4-5,7H2