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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-ethyl-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide Formula: C16H18F2N4O4 MolecularWeight: 368.335326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F2N4O4/c1-4-21-10(3)15(9(2)20-21)16(23)19-11-5-12(22(24)25)7-13(6-11)26-8-14(17)18/h5-7,14H,4,8H2,1-3H3,(H,19,23)