[4-(2-azanylethyl)-2-(5-bromanylpyridin-3-yl)carbonyloxy-phenyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [4-(2-azanylethyl)-2-(5-bromanylpyridin-3-yl)carbonyloxy-phenyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [4-(2-aminoethyl)-2-(5-bromopyridine-3-carbonyl)oxy-phenyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-(2-aminoethyl)-2-[(5-bromo-3-pyridinyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-(2-aminoethyl)-2-(5-bromopyridine-3-carbonyl)oxyphenyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-(2-aminoethyl)-2-(5-bromonicotinoyl)oxy-phenyl] ester Formula: C20H15Br2N3O4 MolecularWeight: 521.1588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCN)OC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC(=C(C=C1CCN)OC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H15Br2N3O4/c21-15-6-13(8-24-10-15)19(26)28-17-2-1-12(3-4-23)5-18(17)29-20(27)14-7-16(22)11-25-9-14/h1-2,5-11H,3-4,23H2