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

Systemtic Name: methyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C26H17ClN2O4 MolecularWeight: 456.87718

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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)Cl)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)Cl)C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C26H17ClN2O4/c1-32-26(31)17-9-12-22-21(13-17)25(30)23(33-22)14-18-15-29(20-5-3-2-4-6-20)28-24(18)16-7-10-19(27)11-8-16/h2-15H,1H3/b23-14-