2-[4-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-penta-1,3-dienyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]terephthalic acid

Systemtic Name: 2-[4-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-penta-1,3-dienyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]terephthalic acid Openeye Name: 2-[4-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxo-penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]terephthalic acid CAS Name: 2-[4-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxopenta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]terephthalic acid IUPAC Name: 2-[4-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxopenta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]terephthalic acid Traditional Name: 2-[4-[(1E)-4-carbethoxy-5-ethoxy-5-keto-penta-1,3-dienyl]-5-keto-3-methyl-3-pyrazolin-1-yl]terephthalic acid Formula: C22H22N2O9 MolecularWeight: 458.41808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=CC1=C(NN(C1=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C/C=C/C1=C(NN(C1=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C)C(=O)OCC

InChI

InChI=1S/C22H22N2O9/c1-4-32-21(30)16(22(31)33-5-2)8-6-7-14-12(3)23-24(18(14)25)17-11-13(19(26)27)9-10-15(17)20(28)29/h6-11,23H,4-5H2,1-3H3,(H,26,27)(H,28,29)/b7-6+