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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C14H13F2N5O6 MolecularWeight: 385.279726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13F2N5O6/c1-2-19-6-11(21(25)26)13(18-19)14(22)17-8-3-9(20(23)24)5-10(4-8)27-7-12(15)16/h3-6,12H,2,7H2,1H3,(H,17,22)