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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenoxy]propanoic acid Openeye Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]propanoic acid IUPAC Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid Traditional Name: 2-[4-bromo-2-[(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)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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