methyl 2-[1-(5-bromanylpyridin-3-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(5-bromanylpyridin-3-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(5-bromopyridine-3-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(5-bromopyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromonicotinoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C13H14BrN3O4 MolecularWeight: 356.17196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C13H14BrN3O4/c1-21-11(18)5-10-12(19)16-2-3-17(10)13(20)8-4-9(14)7-15-6-8/h4,6-7,10H,2-3,5H2,1H3,(H,16,19)