2-(4-chloranylphenoxy)-1-[5-(4-methylphenyl)-3-(5-nitrofuran-2-yl)-5-oxidanyl-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[5-(4-methylphenyl)-3-(5-nitrofuran-2-yl)-5-oxidanyl-4H-pyrazol-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-5-(4-methylphenyl)-3-(5-nitro-2-furanyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-5-(4-methylphenyl)-3-(5-nitrofuran-2-yl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-2-pyrazolin-1-yl]ethanone Formula: C22H18ClN3O6 MolecularWeight: 455.84782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-])O

InChI

InChI=1S/C22H18ClN3O6/c1-14-2-4-15(5-3-14)22(28)12-18(19-10-11-21(32-19)26(29)30)24-25(22)20(27)13-31-17-8-6-16(23)7-9-17/h2-11,28H,12-13H2,1H3