methyl (2Z)-3-oxidanylidene-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2Z)-3-oxidanylidene-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-3-oxo-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]methylidene]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-oxo-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C29H22N2O5 MolecularWeight: 478.49538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)C2=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C29H22N2O5/c1-3-15-35-23-12-9-19(10-13-23)27-21(18-31(30-27)22-7-5-4-6-8-22)17-26-28(32)24-16-20(29(33)34-2)11-14-25(24)36-26/h3-14,16-18H,1,15H2,2H3/b26-17-