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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenoxy]acetic acid Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)C(=O)N2

InChI

InChI=1S/C18H13BrN2O5/c19-12-6-7-15(26-10-16(22)23)11(8-12)9-14-17(24)20-21(18(14)25)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,24)(H,22,23)