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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C13H12F2N4O4 MolecularWeight: 326.255586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F2N4O4/c1-18-6-8(5-16-18)13(20)17-9-2-10(19(21)22)4-11(3-9)23-7-12(14)15/h2-6,12H,7H2,1H3,(H,17,20)