(4E)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(4-allyloxy-2-bromo-5-ethoxy-phenyl)methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-(4-allyloxy-2-bromo-5-ethoxy-benzylidene)-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C)Br)OCC=C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C)C)Br)OCC=C

InChI

InChI=1S/C23H23BrN2O3/c1-5-11-29-22-14-20(24)17(13-21(22)28-6-2)12-19-16(4)25-26(23(19)27)18-9-7-15(3)8-10-18/h5,7-10,12-14H,1,6,11H2,2-4H3/b19-12+