[2,6-bis(bromanyl)-4-cyano-phenyl] 2-(3-pentoxyphenoxy)ethanoate

Systemtic Name: [2,6-bis(bromanyl)-4-cyano-phenyl] 2-(3-pentoxyphenoxy)ethanoate Openeye Name: (2,6-dibromo-4-cyano-phenyl) 2-(3-pentoxyphenoxy)acetate CAS Name: 2-(3-pentoxyphenoxy)acetic acid (2,6-dibromo-4-cyanophenyl) ester IUPAC Name: (2,6-dibromo-4-cyanophenyl) 2-(3-pentoxyphenoxy)acetate Traditional Name: 2-(3-amoxyphenoxy)acetic acid (2,6-dibromo-4-cyano-phenyl) ester Formula: C20H19Br2NO4 MolecularWeight: 497.17716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

InChI

InChI=1S/C20H19Br2NO4/c1-2-3-4-8-25-15-6-5-7-16(11-15)26-13-19(24)27-20-17(21)9-14(12-23)10-18(20)22/h5-7,9-11H,2-4,8,13H2,1H3