[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br)OC

InChI

InChI=1S/C16H15BrN2O5/c1-22-13-4-3-12(6-14(13)23-2)19-15(20)9-24-16(21)10-5-11(17)8-18-7-10/h3-8H,9H2,1-2H3,(H,19,20)