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

Systemtic Name: ethyl 4-[(4Z)-4-[[2-bromanyl-4-(cyanomethoxy)-5-ethoxy-phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4Z)-4-[[2-bromo-4-(cyanomethoxy)-5-ethoxy-phenyl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[[2-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4Z)-4-[[2-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-[2-bromo-4-(cyanomethoxy)-5-ethoxy-benzylidene]-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C29H24BrN3O5 MolecularWeight: 574.42196

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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)C(=O)OCC)C4=CC=CC=C4)Br)OCC#N

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#N

InChI

InChI=1S/C29H24BrN3O5/c1-3-36-25-17-21(24(30)18-26(25)38-15-14-31)16-23-27(19-8-6-5-7-9-19)32-33(28(23)34)22-12-10-20(11-13-22)29(35)37-4-2/h5-13,16-18H,3-4,15H2,1-2H3/b23-16-