4-bromanyl-2-[4-(cyanomethyl)phenoxy]benzoic acid

Systemtic Name: 4-bromanyl-2-[4-(cyanomethyl)phenoxy]benzoic acid Openeye Name: 4-bromo-2-[4-(cyanomethyl)phenoxy]benzoic acid CAS Name: 4-bromo-2-[4-(cyanomethyl)phenoxy]benzoic acid IUPAC Name: 4-bromo-2-[4-(cyanomethyl)phenoxy]benzoic acid Traditional Name: 4-bromo-2-[4-(cyanomethyl)phenoxy]benzoic acid Formula: C15H10BrNO3 MolecularWeight: 332.1488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OC2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)OC2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C15H10BrNO3/c16-11-3-6-13(15(18)19)14(9-11)20-12-4-1-10(2-5-12)7-8-17/h1-6,9H,7H2,(H,18,19)