4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-prop-2-enyl-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-prop-2-enyl-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[3-allyl-4-(1,3-benzodioxol-5-ylmethoxy)-5-methoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-prop-2-enylphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-prop-2-enylphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-allyl-5-methoxy-4-piperonyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC3=C(C=C2)OCO3)CC=C)C=C4C(=O)NN(C4=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC3=C(C=C2)OCO3)CC=C)C=C4C(=O)NN(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O6/c1-3-7-20-12-19(13-22-27(31)29-30(28(22)32)21-8-5-4-6-9-21)15-25(33-2)26(20)34-16-18-10-11-23-24(14-18)36-17-35-23/h3-6,8-15H,1,7,16-17H2,2H3,(H,29,31)