N-[(1Z,4R,5R)-1-[(4-nitrophenyl)methylidene]-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide

Systemtic Name: N-[(1Z,4R,5R)-1-[(4-nitrophenyl)methylidene]-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Openeye Name: N-[(1Z,4R,5R)-1-[(4-nitrophenyl)methylene]-3-oxo-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide CAS Name: N-[(1Z,4R,5R)-1-[(4-nitrophenyl)methylidene]-3-oxo-5-phenyl-4-pyrazolidin-1-iumyl]benzamide IUPAC Name: N-[(1Z,4R,5R)-1-[(4-nitrophenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide Traditional Name: N-[(1Z,4R,5R)-3-keto-1-(4-nitrobenzylidene)-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Formula: C23H19N4O4+ MolecularWeight: 415.42136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]\2[C@H](C(=O)N/[N+]2=C\C3=CC=C(C=C3)[N+](=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)/p+1/b26-15-/t20-,21-/m1/s1