3-[(4E)-4-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[5-(4-methoxycarbonylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[5-(4-methoxycarbonylphenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[[5-(4-carbomethoxyphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H18N2O6 MolecularWeight: 430.40952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H18N2O6/c1-14-20(22(27)26(25-14)18-5-3-4-17(12-18)23(28)29)13-19-10-11-21(32-19)15-6-8-16(9-7-15)24(30)31-2/h3-13H,1-2H3,(H,28,29)/b20-13+