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

Systemtic Name: (3-nitrophenyl)-[3-oxidanyl-3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: [3-hydroxy-3-(4-pyridyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone CAS Name: [3-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone IUPAC Name: [3-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone Traditional Name: [5-hydroxy-5-(4-pyridyl)-3-(trifluoromethyl)-3-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C16H11F3N4O4 MolecularWeight: 380.27815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N4O4/c17-16(18,19)13-9-15(25,11-4-6-20-7-5-11)22(21-13)14(24)10-2-1-3-12(8-10)23(26)27/h1-9,21,25H