[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)COC1=CC(=CC=C1)Br

Isomeric SMILES

C#CCNC(=O)COC(=O)COC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H12BrNO4/c1-2-6-15-12(16)8-19-13(17)9-18-11-5-3-4-10(14)7-11/h1,3-5,7H,6,8-9H2,(H,15,16)