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

Systemtic Name: methyl (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2Z)-3-keto-2-[(1-phenyl-3-p-phenetyl-pyrazol-4-yl)methylene]coumaran-5-carboxylic acid methyl ester Formula: C28H22N2O5 MolecularWeight: 466.48468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O5/c1-3-34-22-12-9-18(10-13-22)26-20(17-30(29-26)21-7-5-4-6-8-21)16-25-27(31)23-15-19(28(32)33-2)11-14-24(23)35-25/h4-17H,3H2,1-2H3/b25-16-