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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H11F2N5O7 MolecularWeight: 387.252546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11F2N5O7/c1-26-13-11(20(24)25)10(17-18-13)12(21)16-6-2-7(19(22)23)4-8(3-6)27-5-9(14)15/h2-4,9H,5H2,1H3,(H,16,21)(H,17,18)