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

Systemtic Name: 4-[(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-allyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-allyl-5-methoxy-4-propargyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC#C)CC=C)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OCC#C)CC=C)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4/c1-4-9-17-13-16(15-20(28-3)21(17)29-12-5-2)14-19-22(26)24-25(23(19)27)18-10-7-6-8-11-18/h2,4,6-8,10-11,13-15H,1,9,12H2,3H3,(H,24,26)