(2Z,3R,4R)-4-benzamido-3-phenyl-2-(phenylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate

Systemtic Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-(phenylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3R,4R)-4-benzamido-2-benzylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-(phenylmethylene)-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3R,4R)-4-benzamido-2-benzylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5R)-1-benzal-4-benzamido-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C23H19N3O2 MolecularWeight: 369.41586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2/c27-22(19-14-8-3-9-15-19)24-20-21(18-12-6-2-7-13-18)26(25-23(20)28)16-17-10-4-1-5-11-17/h1-16,20-21H,(H-,24,25,27,28)/b26-16-/t20-,21-/m1/s1