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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC=C)OC)C3=CC(=CC=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OCC=C)OC)C3=CC(=CC=C3)Br

InChI

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