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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

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