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

Systemtic Name: 4-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-bromo-4,5-diethoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-(3-bromo-4,5-diethoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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