Products 431979-47-4

CAS 431979-47-4 appears in our catalog under these names: Sj-172550, 95%, SJ 172550, SJ-172550/ 99.87% (existing batch purity), SJ 172550, SJ-172550 99%. Offered by: Combi-blocks, TRC, TargetMol, GLPBio, Ambeed. Available pack sizes: 100mg, 5mg, 10mg, 25mg, 50mg, 200mg, 250mg, 1mg.

Structural formula: {0} (CAS {1})

Methyl 2-[2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate (CAS 431979-47-4) is a chemical compound with the molecular formula C22H21ClN2O5 and a molecular weight of 428.9 g/mol. IUPAC name: methyl 2-[2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate. InChIKey: RKKFQJXGAQWHBZ-LICLKQGHSA-N.

Identity
Molecular formulaC22H21ClN2O5
Molecular weight428.9 g/mol
IUPAC namemethyl 2-[2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
InChIKeyRKKFQJXGAQWHBZ-LICLKQGHSA-N
SMILESCCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC

Computed by PubChem (NCBI)