3-[[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H22N2O6/c1-2-33-23-15-17(11-12-22(23)34-16-18-7-6-8-19(13-18)26(31)32)14-21-24(29)27-28(25(21)30)20-9-4-3-5-10-20/h3-15H,2,16H2,1H3,(H,27,29)(H,31,32)