4-[(2-butan-2-yloxy-3-methoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[(2-butan-2-yloxy-3-methoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-methoxy-2-sec-butoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(2-butan-2-yloxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(2-butan-2-yloxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-methoxy-2-sec-butoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=CC=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)OC1=C(C=CC=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

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