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

Systemtic Name: (2Z,3R,4R)-4-benzamido-2-[(4-nitrophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3R,4R)-4-benzamido-2-[(4-nitrophenyl)methylene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3R,4R)-4-benzamido-2-[(4-nitrophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3R,4R)-4-benzamido-2-[(4-nitrophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5R)-4-benzamido-1-(4-nitrobenzylidene)-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H18N4O4/c28-22(18-9-5-2-6-10-18)24-20-21(17-7-3-1-4-8-17)26(25-23(20)29)15-16-11-13-19(14-12-16)27(30)31/h1-15,20-21H,(H-,24,25,28,29)/b26-15-/t20-,21-/m1/s1