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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloranyl-5-ethoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-ethoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-ethoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-ethoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-chloro-5-ethoxy-4-piperonyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C26H21ClN2O6 MolecularWeight: 492.90774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21ClN2O6/c1-2-32-23-13-17(10-19-25(30)28-29(26(19)31)18-6-4-3-5-7-18)11-20(27)24(23)33-14-16-8-9-21-22(12-16)35-15-34-21/h3-13H,2,14-15H2,1H3,(H,28,30)