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

Systemtic Name: (4E)-4-[(2-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(2-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-5-methyl-2-(m-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-(2-bromo-4-ethoxy-5-methoxy-benzylidene)-5-methyl-2-(m-tolyl)-2-pyrazolin-3-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3/c1-5-27-20-12-18(22)15(11-19(20)26-4)10-17-14(3)23-24(21(17)25)16-8-6-7-13(2)9-16/h6-12H,5H2,1-4H3/b17-10+