(4Z)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4Z)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4Z)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4Z)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4Z)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4Z)-4-[5-nitro-2-(3-phenoxypropoxy)benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])OCCCOC4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C\C3=C(C=CC(=C3)[N+](=O)[O-])OCCCOC4=CC=CC=C4)/C(=O)N2

InChI

InChI=1S/C25H21N3O6/c29-24-22(25(30)27(26-24)19-8-3-1-4-9-19)17-18-16-20(28(31)32)12-13-23(18)34-15-7-14-33-21-10-5-2-6-11-21/h1-6,8-13,16-17H,7,14-15H2,(H,26,29)/b22-17-