[2-(butylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C12H15BrN2O3/c1-2-3-4-15-11(16)8-18-12(17)9-5-10(13)7-14-6-9/h5-7H,2-4,8H2,1H3,(H,15,16)