(4E)-4-[(2-methoxy-3-methyl-4-propoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4E)-4-[(2-methoxy-3-methyl-4-propoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[(2-methoxy-3-methyl-4-propoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[(2-methoxy-3-methyl-4-propoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[(2-methoxy-3-methyl-4-propoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-(2-methoxy-3-methyl-4-propoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC)C

Isomeric SMILES

CCCOC1=C(C(=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OC)C

InChI

InChI=1S/C21H22N2O4/c1-4-12-27-18-11-10-15(19(26-3)14(18)2)13-17-20(24)22-23(21(17)25)16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3,(H,22,24)/b17-13+