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

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(3-bromanylphenoxy)propanoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-(3-bromophenoxy)propanoate CAS Name: 3-(3-bromophenoxy)propanoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate Traditional Name: 3-(3-bromophenoxy)propionic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCC(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCC(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C13H15BrN2O5/c14-9-2-1-3-10(6-9)20-5-4-13(19)21-8-12(18)16-7-11(15)17/h1-3,6H,4-5,7-8H2,(H2,15,17)(H,16,18)