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

Systemtic Name: (4-methoxyphenyl)-[5-(4-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone CAS Name: [5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone IUPAC Name: [5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-methoxyphenyl)methanone Formula: C18H14F3N3O5 MolecularWeight: 409.31607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(F)(F)F)(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(F)(F)F)(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H14F3N3O5/c1-29-14-8-2-11(3-9-14)16(25)23-17(26,10-15(22-23)18(19,20)21)12-4-6-13(7-5-12)24(27)28/h2-9,26H,10H2,1H3