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

Systemtic Name: 2-[4-bromanyl-2-[1-(4-chloranyl-2-methyl-phenyl)pyrazol-4-yl]carbonyl-phenoxy]propanoic acid Openeye Name: 2-[4-bromo-2-[1-(4-chloro-2-methyl-phenyl)pyrazole-4-carbonyl]phenoxy]propanoic acid CAS Name: 2-[4-bromo-2-[[1-(4-chloro-2-methylphenyl)-4-pyrazolyl]-oxomethyl]phenoxy]propanoic acid IUPAC Name: 2-[4-bromo-2-[1-(4-chloro-2-methylphenyl)pyrazole-4-carbonyl]phenoxy]propanoic acid Traditional Name: 2-[4-bromo-2-[1-(4-chloro-2-methyl-phenyl)pyrazole-4-carbonyl]phenoxy]propionic acid Formula: C20H16BrClN2O4 MolecularWeight: 463.70904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN2O4/c1-11-7-15(22)4-5-17(11)24-10-13(9-23-24)19(25)16-8-14(21)3-6-18(16)28-12(2)20(26)27/h3-10,12H,1-2H3,(H,26,27)