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

Systemtic Name: (4E)-4-[(4-butoxy-3-methyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[(4-butoxy-3-methyl-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[(4-butoxy-3-methylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[(4-butoxy-3-methylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-(4-butoxy-3-methyl-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O3/c1-3-4-12-26-19-11-10-16(13-15(19)2)14-18-20(24)22-23(21(18)25)17-8-6-5-7-9-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,24)/b18-14+