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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CCC1(C=C(NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

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