(2Z,3R,4R)-4-benzamido-2-[(3-fluorophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate

Systemtic Name: (2Z,3R,4R)-4-benzamido-2-[(3-fluorophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3R,4R)-4-benzamido-2-[(3-fluorophenyl)methylene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3R,4R)-4-benzamido-2-[(3-fluorophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3R,4R)-4-benzamido-2-[(3-fluorophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5R)-4-benzamido-1-(3-fluorobenzylidene)-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C23H18FN3O2 MolecularWeight: 387.406323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18FN3O2/c24-19-13-7-8-16(14-19)15-27-21(17-9-3-1-4-10-17)20(23(29)26-27)25-22(28)18-11-5-2-6-12-18/h1-15,20-21H,(H-,25,26,28,29)/b27-15-/t20-,21-/m1/s1