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

Systemtic Name: 4-[(4E)-4-[[5-(4-ethanoylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[5-(4-acetylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[5-(4-acetylphenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[[5-(4-acetylphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H18N2O5 MolecularWeight: 414.41012

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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)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O5/c1-14-21(23(28)26(25-14)19-9-7-18(8-10-19)24(29)30)13-20-11-12-22(31-20)17-5-3-16(4-6-17)15(2)27/h3-13H,1-2H3,(H,29,30)/b21-13+