(2Z,3R,4R)-4-benzamido-3-phenyl-2-[(E)-3-phenylprop-2-enylidene]-3,4-dihydropyrazol-2-ium-5-olate

Systemtic Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-[(E)-3-phenylprop-2-enylidene]-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-[(E)-3-phenylprop-2-enylidene]-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-[(E)-3-phenylprop-2-enylidene]-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-[(E)-3-phenylprop-2-enylidene]-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5R)-4-benzamido-5-phenyl-1-[(E)-3-phenylprop-2-enylidene]-2-pyrazolin-1-ium-3-olate Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC=[N+]2C(C(C(=N2)[O-])NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C=[N+]\2/[C@@H]([C@H](C(=N2)[O-])NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2/c29-24(21-16-8-3-9-17-21)26-22-23(20-14-6-2-7-15-20)28(27-25(22)30)18-10-13-19-11-4-1-5-12-19/h1-18,22-23H,(H-,26,27,29,30)/b13-10+,28-18-/t22-,23-/m1/s1