diethyl 2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]propanedioate CAS Name: 2-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]propanedioate Traditional Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]malonic acid diethyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C25H22N2O5/c1-3-30-24(28)20(25(29)31-4-2)14-18-16-27(19-11-6-5-7-12-19)26-23(18)22-15-17-10-8-9-13-21(17)32-22/h5-16H,3-4H2,1-2H3