N-[(1Z,4R,5S)-1-[(4-bromophenyl)methylidene]-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(1Z,4R,5S)-1-[(4-bromophenyl)methylidene]-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1Z,4R,5S)-1-[(4-bromophenyl)methylene]-3-oxo-5-phenyl-pyrazolidin-1-ium-4-yl]-4-fluoro-benzamide CAS Name: N-[(1Z,4R,5S)-1-[(4-bromophenyl)methylidene]-3-oxo-5-phenyl-4-pyrazolidin-1-iumyl]-4-fluorobenzamide IUPAC Name: N-[(1Z,4R,5S)-1-[(4-bromophenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]-4-fluorobenzamide Traditional Name: N-[(1Z,4R,5S)-1-(4-bromobenzylidene)-3-keto-5-phenyl-pyrazolidin-1-ium-4-yl]-4-fluoro-benzamide Formula: C23H18BrFN3O2+ MolecularWeight: 467.310323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N[N+]2=CC3=CC=C(C=C3)Br)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)[C@H]\2[C@H](C(=O)N/[N+]2=C\C3=CC=C(C=C3)Br)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17BrFN3O2/c24-18-10-6-15(7-11-18)14-28-21(16-4-2-1-3-5-16)20(23(30)27-28)26-22(29)17-8-12-19(25)13-9-17/h1-14,20-21H,(H-,26,27,29,30)/p+1/b28-14-/t20-,21+/m1/s1