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

Systemtic Name: 4-[[5-chloranyl-2-(3-phenoxypropoxy)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[5-chloro-2-(3-phenoxypropoxy)phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-chloro-2-(3-phenoxypropoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-chloro-2-(3-phenoxypropoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[5-chloro-2-(3-phenoxypropoxy)benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Cl)OCCCOC4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Cl)OCCCOC4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C25H21ClN2O4/c26-19-12-13-23(32-15-7-14-31-21-10-5-2-6-11-21)18(16-19)17-22-24(29)27-28(25(22)30)20-8-3-1-4-9-20/h1-6,8-13,16-17H,7,14-15H2,(H,27,29)