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

Systemtic Name: (4E)-2-(4-bromanyl-3-methyl-phenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-bromo-3-methyl-phenyl)-4-[(3,4-dimethoxyphenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-bromo-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-bromo-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-bromo-3-methyl-phenyl)-5-methyl-4-veratrylidene-2-pyrazolin-3-one Formula: C20H19BrN2O3 MolecularWeight: 415.28046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)OC)C(=N2)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C(=N2)C)Br

InChI

InChI=1S/C20H19BrN2O3/c1-12-9-15(6-7-17(12)21)23-20(24)16(13(2)22-23)10-14-5-8-18(25-3)19(11-14)26-4/h5-11H,1-4H3/b16-10+