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

Systemtic Name: 4-[[5-bromanyl-2-[3-(3-methylphenoxy)propoxy]phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[5-bromo-2-[3-(3-methylphenoxy)propoxy]phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-bromo-2-[3-(3-methylphenoxy)propoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-bromo-2-[3-(3-methylphenoxy)propoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[5-bromo-2-[3-(3-methylphenoxy)propoxy]benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C26H23BrN2O4 MolecularWeight: 507.37582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O4/c1-18-7-5-10-22(15-18)32-13-6-14-33-24-12-11-20(27)16-19(24)17-23-25(30)28-29(26(23)31)21-8-3-2-4-9-21/h2-5,7-12,15-17H,6,13-14H2,1H3,(H,28,30)