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

Systemtic Name: (4E)-4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-(4-bromophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-2-(4-bromophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-bromophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-bromophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-2-(4-bromophenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H18Br2N2O3 MolecularWeight: 506.18722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Br2N2O3/c1-4-9-28-20-18(23)11-14(12-19(20)27-3)10-17-13(2)24-25(21(17)26)16-7-5-15(22)6-8-16/h4-8,10-12H,1,9H2,2-3H3/b17-10+