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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-bromanyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H8BrF2N5O6 MolecularWeight: 436.122626

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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)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrF2N5O6/c13-9-10(17-18-11(9)20(24)25)12(21)16-5-1-6(19(22)23)3-7(2-5)26-4-8(14)15/h1-3,8H,4H2,(H,16,21)(H,17,18)