N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C13H11F2IN4O4 MolecularWeight: 452.152116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-])I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-])I

InChI

InChI=1S/C13H11F2IN4O4/c1-19-5-10(16)12(18-19)13(21)17-7-2-8(20(22)23)4-9(3-7)24-6-11(14)15/h2-5,11H,6H2,1H3,(H,17,21)