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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H18BrN3O4 MolecularWeight: 372.21442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C14H18BrN3O4/c1-9(2)3-4-17-14(21)18-12(19)8-22-13(20)10-5-11(15)7-16-6-10/h5-7,9H,3-4,8H2,1-2H3,(H2,17,18,19,21)