[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-(3-bromanylphenoxy)propanoate

Systemtic Name: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-(3-bromanylphenoxy)propanoate Openeye Name: [2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-(3-bromophenoxy)propanoate CAS Name: 3-(3-bromophenoxy)propanoic acid [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate Traditional Name: 3-(3-bromophenoxy)propionic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl] ester Formula: C14H17BrN2O5 MolecularWeight: 373.19918

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)COC(=O)CCOC1=CC(=CC=C1)Br

Isomeric SMILES

CNC(=O)CNC(=O)COC(=O)CCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H17BrN2O5/c1-16-12(18)8-17-13(19)9-22-14(20)5-6-21-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,16,18)(H,17,19)