2-[4-bromanyl-2-[1-(2-bromanyl-4-methyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[1-(2-bromanyl-4-methyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(2-bromo-4-methyl-phenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(2-bromo-4-methylphenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(2-bromo-4-methylphenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(2-bromo-4-methyl-phenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C19H14Br2N2O4 MolecularWeight: 494.13346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O)Br

InChI

InChI=1S/C19H14Br2N2O4/c1-11-2-4-16(15(21)6-11)23-9-12(8-22-23)19(26)14-7-13(20)3-5-17(14)27-10-18(24)25/h2-9H,10H2,1H3,(H,24,25)