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

Systemtic Name: 2-[4-bromanyl-2-[1-(2,4-dichlorophenyl)pyrazol-4-yl]carbonyl-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[[1-(2,4-dichlorophenyl)-4-pyrazolyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]phenoxy]acetic acid Formula: C18H11BrCl2N2O4 MolecularWeight: 470.10094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O

InChI

InChI=1S/C18H11BrCl2N2O4/c19-11-1-4-16(27-9-17(24)25)13(5-11)18(26)10-7-22-23(8-10)15-3-2-12(20)6-14(15)21/h1-8H,9H2,(H,24,25)