4-[4-bromanyl-1-methyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-3-yl]-5-fluoranyl-2-phenoxy-benzenecarbonitrile

Systemtic Name: 4-[4-bromanyl-1-methyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-3-yl]-5-fluoranyl-2-phenoxy-benzenecarbonitrile Openeye Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-3-yl]-5-fluoro-2-phenoxy-benzonitrile CAS Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-3-yl]-5-fluoro-2-phenoxybenzonitrile IUPAC Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-3-yl]-5-fluoro-2-phenoxybenzonitrile Traditional Name: 4-[4-bromo-1-methyl-5-(trifluoromethyl)-4H-pyrazol-1-ium-3-yl]-5-fluoro-2-phenoxy-benzonitrile Formula: C18H11BrF4N3O+ MolecularWeight: 441.197053

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=N1)C2=C(C=C(C(=C2)OC3=CC=CC=C3)C#N)F)Br)C(F)(F)F

Isomeric SMILES

C[N+]1=C(C(C(=N1)C2=C(C=C(C(=C2)OC3=CC=CC=C3)C#N)F)Br)C(F)(F)F

InChI

InChI=1S/C18H11BrF4N3O/c1-26-17(18(21,22)23)15(19)16(25-26)12-8-14(10(9-24)7-13(12)20)27-11-5-3-2-4-6-11/h2-8,15H,1H3/q+1