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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N2C(C=C(N2)C(F)(F)F)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N2C(C=C(N2)C(F)(F)F)(C(F)(F)F)O)[N+](=O)[O-]

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/h1-5,19,23H