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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-chloranyl-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-ethyl-pyrazole-3-carboxamide Formula: C14H13ClF2N4O4 MolecularWeight: 374.727226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClF2N4O4/c1-2-20-6-11(15)13(19-20)14(22)18-8-3-9(21(23)24)5-10(4-8)25-7-12(16)17/h3-6,12H,2,7H2,1H3,(H,18,22)