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

Systemtic Name: 3-[(4Z)-4-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[5-(3-ethoxycarbonylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[5-(3-ethoxycarbonylphenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[[5-(3-carbethoxyphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C25H20N2O6/c1-3-32-25(31)18-8-4-6-16(12-18)22-11-10-20(33-22)14-21-15(2)26-27(23(21)28)19-9-5-7-17(13-19)24(29)30/h4-14H,3H2,1-2H3,(H,29,30)/b21-14-