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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C13H11F2N5O6 MolecularWeight: 371.253146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F2N5O6/c1-18-5-10(20(24)25)12(17-18)13(21)16-7-2-8(19(22)23)4-9(3-7)26-6-11(14)15/h2-5,11H,6H2,1H3,(H,16,21)