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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-bromanyl-4-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-chloro-6-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[2-bromo-4-chloro-6-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-chloro-6-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-chloro-6-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetic acid Formula: C18H12BrClN2O5 MolecularWeight: 451.65528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3OCC(=O)O)Br)Cl)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3OCC(=O)O)Br)Cl)C(=O)N2

InChI

InChI=1S/C18H12BrClN2O5/c19-14-8-11(20)6-10(16(14)27-9-15(23)24)7-13-17(25)21-22(18(13)26)12-4-2-1-3-5-12/h1-8H,9H2,(H,21,25)(H,23,24)