methyl (2E)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2E)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl (2E)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: (2E)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: (2E)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-coumaran-5-carboxylic acid methyl ester Formula: C28H20N2O6 MolecularWeight: 480.4682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)C2=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O/C(=C/C3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)/C2=O

InChI

InChI=1S/C28H20N2O6/c1-33-28(32)18-8-9-22-21(13-18)27(31)25(36-22)15-19-16-30(20-5-3-2-4-6-20)29-26(19)17-7-10-23-24(14-17)35-12-11-34-23/h2-10,13-16H,11-12H2,1H3/b25-15+