2-[4-bromanyl-2-[1-(3-chlorophenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[1-(3-chlorophenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(3-chlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(3-chlorophenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(3-chlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(3-chlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C18H12BrClN2O4 MolecularWeight: 435.65588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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