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

Systemtic Name: (2Z,3S,4R)-4-benzamido-2-[(4-methoxyphenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3S,4R)-4-benzamido-2-[(4-methoxyphenyl)methylene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3S,4R)-4-benzamido-2-[(4-methoxyphenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3S,4R)-4-benzamido-2-[(4-methoxyphenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5S)-4-benzamido-1-p-anisylidene-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=[N+]2C(C(C(=N2)[O-])NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=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/C24H21N3O3/c1-30-20-14-12-17(13-15-20)16-27-22(18-8-4-2-5-9-18)21(24(29)26-27)25-23(28)19-10-6-3-7-11-19/h2-16,21-22H,1H3,(H-,25,26,28,29)/b27-16-/t21-,22+/m1/s1