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

Systemtic Name: (2-nitrophenyl)-[5-oxidanyl-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone CAS Name: [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone IUPAC Name: [5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone Traditional Name: [5-hydroxy-3,5-bis(trifluoromethyl)-2-pyrazolin-1-yl]-(2-nitrophenyl)methanone Formula: C12H7F6N3O4 MolecularWeight: 371.192099

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H7F6N3O4/c13-11(14,15)8-5-10(23,12(16,17)18)20(19-8)9(22)6-3-1-2-4-7(6)21(24)25/h1-4,23H,5H2