3-[(4Z)-3-methyl-5-oxidanylidene-4-[[5-(1-oxidanylidene-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-3-methyl-5-oxidanylidene-4-[[5-(1-oxidanylidene-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-methyl-5-oxo-4-[[5-(1-oxo-3H-isobenzofuran-5-yl)-2-furyl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-3-methyl-5-oxo-4-[[5-(1-oxo-3H-isobenzofuran-5-yl)-2-furanyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-3-methyl-5-oxo-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-5-keto-4-[[5-(1-ketophthalan-5-yl)-2-furyl]methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H16N2O6 MolecularWeight: 428.39364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC4=C(C=C3)C(=O)OC4)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC4=C(C=C3)C(=O)OC4)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C24H16N2O6/c1-13-20(22(27)26(25-13)17-4-2-3-15(10-17)23(28)29)11-18-6-8-21(32-18)14-5-7-19-16(9-14)12-31-24(19)30/h2-11H,12H2,1H3,(H,28,29)/b20-11-