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

Systemtic Name: 2-[4-bromanyl-2-[1-(2-chlorophenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(2-chlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(2-chlorophenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(2-chlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(2-chlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C18H12BrClN2O4 MolecularWeight: 435.65588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrClN2O4/c19-12-5-6-16(26-10-17(23)24)13(7-12)18(25)11-8-21-22(9-11)15-4-2-1-3-14(15)20/h1-9H,10H2,(H,23,24)