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

Systemtic Name: ethyl 4-[(4E)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-4-[(4-allyloxy-2-bromo-5-ethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(4-allyloxy-2-bromo-5-ethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C25H25BrN2O5 MolecularWeight: 513.3804

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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)C)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)C)Br)OCC=C

InChI

InChI=1S/C25H25BrN2O5/c1-5-12-33-23-15-21(26)18(14-22(23)31-6-2)13-20-16(4)27-28(24(20)29)19-10-8-17(9-11-19)25(30)32-7-3/h5,8-11,13-15H,1,6-7,12H2,2-4H3/b20-13+