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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[3-(5-nitrofuran-2-yl)-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-phenyl-4H-pyrazol-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furanyl)-5-phenyl-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitrofuran-2-yl)-5-phenyl-4H-pyrazol-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C21H16ClN3O6 MolecularWeight: 441.82124

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O6/c22-15-6-8-16(9-7-15)30-13-19(26)24-21(27,14-4-2-1-3-5-14)12-17(23-24)18-10-11-20(31-18)25(28)29/h1-11,27H,12-13H2