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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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