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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-phenoxy]propanoic acid Openeye Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid CAS Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]propanoic acid IUPAC Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid Traditional Name: 2-[2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]propionic acid Formula: C19H15BrN2O5 MolecularWeight: 431.2368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C19H15BrN2O5/c1-11(19(25)26)27-16-8-7-12(10-15(16)20)9-14-17(23)21-22(18(14)24)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23)(H,25,26)