4-[[3-bromanyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H21BrN2O5 MolecularWeight: 509.34864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCCOC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCCOC4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2O5/c1-31-22-16-17(14-20-24(29)27-28(25(20)30)18-8-4-2-5-9-18)15-21(26)23(22)33-13-12-32-19-10-6-3-7-11-19/h2-11,14-16H,12-13H2,1H3,(H,27,29)