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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloranyl-5-methoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-chloro-5-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-chloro-5-methoxy-4-piperonyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H19ClN2O6 MolecularWeight: 478.88116

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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)Cl)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19ClN2O6/c1-31-22-12-16(9-18-24(29)27-28(25(18)30)17-5-3-2-4-6-17)10-19(26)23(22)32-13-15-7-8-20-21(11-15)34-14-33-20/h2-12H,13-14H2,1H3,(H,27,29)