N-[4-bromanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-bromanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(4-bromo-2,3,5,6-tetrafluoro-phenyl)-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(4-bromo-2,3,5,6-tetrafluoro-phenyl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C11H5BrF4N4O3 MolecularWeight: 397.080013

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=C(C(=C(C(=C2F)F)Br)F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=C(C(=C(C(=C2F)F)Br)F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H5BrF4N4O3/c1-19-2-3(20(22)23)9(18-19)11(21)17-10-7(15)5(13)4(12)6(14)8(10)16/h2H,1H3,(H,17,21)