2-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-penta-1,3-dienyl]-3-methyl-5-oxidanyl-6-pyrazol-1-yl-terephthalic acid

Systemtic Name: 2-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-penta-1,3-dienyl]-3-methyl-5-oxidanyl-6-pyrazol-1-yl-terephthalic acid Openeye Name: 2-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxo-penta-1,3-dienyl]-5-hydroxy-3-methyl-6-pyrazol-1-yl-terephthalic acid CAS Name: 2-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxopenta-1,3-dienyl]-5-hydroxy-3-methyl-6-(1-pyrazolyl)terephthalic acid IUPAC Name: 2-[(1E)-5-ethoxy-4-ethoxycarbonyl-5-oxopenta-1,3-dienyl]-5-hydroxy-3-methyl-6-pyrazol-1-ylterephthalic acid Traditional Name: 2-[(1E)-4-carbethoxy-5-ethoxy-5-keto-penta-1,3-dienyl]-5-hydroxy-3-methyl-6-pyrazol-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(C(=C(C(=C1C)C(=O)O)O)N2C=CC=N2)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C/C=C/C1=C(C(=C(C(=C1C)C(=O)O)O)N2C=CC=N2)C(=O)O)C(=O)OCC

InChI

InChI=1S/C22H22N2O9/c1-4-32-21(30)14(22(31)33-5-2)9-6-8-13-12(3)15(19(26)27)18(25)17(16(13)20(28)29)24-11-7-10-23-24/h6-11,25H,4-5H2,1-3H3,(H,26,27)(H,28,29)/b8-6+