4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromanyl-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromanyl-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-4-piperonyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C24H17BrN2O5 MolecularWeight: 493.30618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC3=C(C=C(C=C3)C=C4C(=O)NN(C4=O)C5=CC=CC=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC3=C(C=C(C=C3)C=C4C(=O)NN(C4=O)C5=CC=CC=C5)Br

InChI

InChI=1S/C24H17BrN2O5/c25-19-11-15(10-18-23(28)26-27(24(18)29)17-4-2-1-3-5-17)6-8-20(19)30-13-16-7-9-21-22(12-16)32-14-31-21/h1-12H,13-14H2,(H,26,28)