ethyl 2-[4-bromanyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-bromanyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetate CAS Name: 2-[4-bromo-2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetate Traditional Name: 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid ethyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)C(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O4/c1-2-26-19(24)13-27-18-9-8-15(21)10-17(18)20(25)14-11-22-23(12-14)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3