(4E)-5-methyl-2-(4-methylphenyl)-4-[[5-(3-oxidanylidene-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[[5-(3-oxidanylidene-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[5-(3-oxo-1H-isobenzofuran-5-yl)-2-furyl]methylene]-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[[5-(3-oxo-1H-isobenzofuran-5-yl)-2-furanyl]methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-3-one Traditional Name: (4E)-4-[[5-(3-ketophthalan-5-yl)-2-furyl]methylene]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C24H18N2O4 MolecularWeight: 398.41072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC5=C(COC5=O)C=C4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC5=C(COC5=O)C=C4)/C(=N2)C

InChI

InChI=1S/C24H18N2O4/c1-14-3-7-18(8-4-14)26-23(27)20(15(2)25-26)12-19-9-10-22(30-19)16-5-6-17-13-29-24(28)21(17)11-16/h3-12H,13H2,1-2H3/b20-12+