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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenoxy]acetic acid CAS Name: 2-[5-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxyphenoxy]acetic acid IUPAC Name: 2-[5-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetic acid Traditional Name: 2-[5-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenoxy]acetic acid Formula: C20H17BrN2O6 MolecularWeight: 461.26278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC(=O)O

InChI

InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(15(21)10-17(16)29-11-18(24)25)8-14-19(26)22-23(20(14)27)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,22,26)(H,24,25)