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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-4-iodo-1H-pyrazole-5-carboxamide Formula: C12H9F2IN4O4 MolecularWeight: 438.125536

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])OCC(F)F)NC(=O)C2=C(C=NN2)I

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])OCC(F)F)NC(=O)C2=C(C=NN2)I

InChI

InChI=1S/C12H9F2IN4O4/c13-10(14)5-23-8-2-6(1-7(3-8)19(21)22)17-12(20)11-9(15)4-16-18-11/h1-4,10H,5H2,(H,16,18)(H,17,20)