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

Systemtic Name: (4E)-4-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[5-bromo-2-(2-methylallyloxy)phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[5-bromo-2-(2-methylallyloxy)benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC(=C)C)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OCC(=C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O2/c1-14(2)13-26-20-10-9-17(22)11-16(20)12-19-15(3)23-24(21(19)25)18-7-5-4-6-8-18/h4-12H,1,13H2,2-3H3/b19-12+