(2-azanyl-2-oxidanylidene-ethyl) 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(3-bromanylphenoxy)butanoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (2-amino-2-keto-ethyl) ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)N

InChI

InChI=1S/C12H14BrNO4/c13-9-3-1-4-10(7-9)17-6-2-5-12(16)18-8-11(14)15/h1,3-4,7H,2,5-6,8H2,(H2,14,15)