ethyl 4-[(4Z)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4Z)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4Z)-4-[(4-allyloxy-2-bromo-5-ethoxy-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(4-allyloxy-2-bromo-5-ethoxy-benzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C30H27BrN2O5 MolecularWeight: 575.44978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4)Br)OCC=C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4)Br)OCC=C

InChI

InChI=1S/C30H27BrN2O5/c1-4-16-38-27-19-25(31)22(18-26(27)36-5-2)17-24-28(20-10-8-7-9-11-20)32-33(29(24)34)23-14-12-21(13-15-23)30(35)37-6-3/h4,7-15,17-19H,1,5-6,16H2,2-3H3/b24-17-