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

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-4-bromanyl-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C14H13BrF2N4O4 MolecularWeight: 419.178226

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrF2N4O4/c1-7-12(15)13(19-20(7)2)14(22)18-8-3-9(21(23)24)5-10(4-8)25-6-11(16)17/h3-5,11H,6H2,1-2H3,(H,18,22)