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

Systemtic Name: (4E)-2-(4-bromophenyl)-4-[(4-ethoxy-3-methoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-4-[(4-ethoxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-4-(4-ethoxy-3-methoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3/c1-4-26-18-10-5-14(12-19(18)25-3)11-17-13(2)22-23(20(17)24)16-8-6-15(21)7-9-16/h5-12H,4H2,1-3H3/b17-11+