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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-bromanyl-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Formula: C12H9BrF2N4O4 MolecularWeight: 391.125066

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrF2N4O4/c13-9-4-16-18-11(9)12(20)17-6-1-7(19(21)22)3-8(2-6)23-5-10(14)15/h1-4,10H,5H2,(H,16,18)(H,17,20)