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

Systemtic Name: [3-(4-ethylphenyl)-3-oxidanyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-nitrophenyl)methanone Openeye Name: [3-(4-ethylphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-nitrophenyl)methanone CAS Name: [3-(4-ethylphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-nitrophenyl)methanone IUPAC Name: [3-(4-ethylphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(4-nitrophenyl)methanone Traditional Name: [5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-3-pyrazolin-1-yl]-(4-nitrophenyl)methanone Formula: C19H16F3N3O4 MolecularWeight: 407.34325

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2(C=C(NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2(C=C(NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C19H16F3N3O4/c1-2-12-3-7-14(8-4-12)18(27)11-16(19(20,21)22)23-24(18)17(26)13-5-9-15(10-6-13)25(28)29/h3-11,23,27H,2H2,1H3