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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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