2-(4-bromanyl-2-cyano-phenoxy)ethanoic acid

Systemtic Name: 2-(4-bromanyl-2-cyano-phenoxy)ethanoic acid Openeye Name: 2-(4-bromo-2-cyano-phenoxy)acetic acid CAS Name: 2-(4-bromo-2-cyanophenoxy)acetic acid IUPAC Name: 2-(4-bromo-2-cyanophenoxy)acetic acid Traditional Name: 2-(4-bromo-2-cyano-phenoxy)acetic acid Formula: C9H6BrNO3 MolecularWeight: 256.05284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C#N)OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)C#N)OCC(=O)O

InChI

InChI=1S/C9H6BrNO3/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3H,5H2,(H,12,13)