dimethyl 5-[2-(5-bromanylpyridin-3-yl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(5-bromanylpyridin-3-yl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(5-bromopyridine-3-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-bromo-3-pyridinyl)-oxomethoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(5-bromopyridine-3-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(5-bromonicotinoyl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15BrN2O7 MolecularWeight: 451.2249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O7/c1-26-16(23)10-3-11(17(24)27-2)6-14(5-10)21-15(22)9-28-18(25)12-4-13(19)8-20-7-12/h3-8H,9H2,1-2H3,(H,21,22)