cyanomethyl 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate

Systemtic Name: cyanomethyl 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate Openeye Name: cyanomethyl 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoate CAS Name: 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate Traditional Name: 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoic acid cyanomethyl ester Formula: C17H13Br2NO3 MolecularWeight: 439.09802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC#N)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC#N)Br

InChI

InChI=1S/C17H13Br2NO3/c1-11-8-14(18)16(15(19)9-11)23-10-12-2-4-13(5-3-12)17(21)22-7-6-20/h2-5,8-9H,7,10H2,1H3