[2-(methylamino)-2-oxidanylidene-ethyl] 4-(4-bromanylphenoxy)butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-(4-bromanylphenoxy)butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)CCCOC1=CC=C(C=C1)Br

Isomeric SMILES

CNC(=O)COC(=O)CCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO4/c1-15-12(16)9-19-13(17)3-2-8-18-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,16)