2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-methoxy-phenoxy]propanoic acid

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-methoxy-phenoxy]propanoic acid Openeye Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]propanoic acid CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-methoxyphenoxy]propanoic acid IUPAC Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenoxy]propanoic acid Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]propionic acid Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OC

InChI

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