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

Systemtic Name: [3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O4/c1-2-9-7-12(21,13(14,15)16)18(17-9)11(20)8-4-3-5-10(6-8)19(22)23/h3-6,21H,2,7H2,1H3