[2,2,2-tris(bromanyl)-1-pyridin-3-yl-ethyl] benzoate

Systemtic Name: [2,2,2-tris(bromanyl)-1-pyridin-3-yl-ethyl] benzoate Openeye Name: [2,2,2-tribromo-1-(3-pyridyl)ethyl] benzoate CAS Name: benzoic acid [2,2,2-tribromo-1-(3-pyridinyl)ethyl] ester IUPAC Name: (2,2,2-tribromo-1-pyridin-3-ylethyl) benzoate Traditional Name: benzoic acid [2,2,2-tribromo-1-(3-pyridyl)ethyl] ester Formula: C14H10Br3NO2 MolecularWeight: 463.9467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C2=CN=CC=C2)C(Br)(Br)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C2=CN=CC=C2)C(Br)(Br)Br

InChI

InChI=1S/C14H10Br3NO2/c15-14(16,17)12(11-7-4-8-18-9-11)20-13(19)10-5-2-1-3-6-10/h1-9,12H