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

Systemtic Name: (2-nitrophenyl)-[3-oxidanyl-3-(4-pentylphenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: [3-hydroxy-3-(4-pentylphenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone CAS Name: [3-hydroxy-3-(4-pentylphenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone IUPAC Name: [3-hydroxy-3-(4-pentylphenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone Traditional Name: [5-(4-amylphenyl)-5-hydroxy-3-(trifluoromethyl)-3-pyrazolin-1-yl]-(2-nitrophenyl)methanone Formula: C22H22F3N3O4 MolecularWeight: 449.42299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2(C=C(NN2C(=O)C3=CC=CC=C3[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2(C=C(NN2C(=O)C3=CC=CC=C3[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C22H22F3N3O4/c1-2-3-4-7-15-10-12-16(13-11-15)21(30)14-19(22(23,24)25)26-27(21)20(29)17-8-5-6-9-18(17)28(31)32/h5-6,8-14,26,30H,2-4,7H2,1H3