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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-bromanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-2-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C13H11BrF2N4O4 MolecularWeight: 405.151646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrF2N4O4/c1-19-12(10(14)5-17-19)13(21)18-7-2-8(20(22)23)4-9(3-7)24-6-11(15)16/h2-5,11H,6H2,1H3,(H,18,21)