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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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