2-[[3,5-bis(bromanyl)phenyl]-(3-ethoxy-3-oxidanylidene-propyl)amino]ethanoate

Systemtic Name: 2-[[3,5-bis(bromanyl)phenyl]-(3-ethoxy-3-oxidanylidene-propyl)amino]ethanoate Openeye Name: 2-(3,5-dibromo-N-(3-ethoxy-3-oxo-propyl)anilino)acetate CAS Name: 2-(3,5-dibromo-N-(3-ethoxy-3-oxopropyl)anilino)acetate IUPAC Name: 2-(3,5-dibromo-N-(3-ethoxy-3-oxopropyl)anilino)acetate Traditional Name: 2-(3,5-dibromo-N-(3-ethoxy-3-keto-propyl)anilino)acetate Formula: C13H14Br2NO4- MolecularWeight: 408.06256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC(=O)[O-])C1=CC(=CC(=C1)Br)Br

Isomeric SMILES

CCOC(=O)CCN(CC(=O)[O-])C1=CC(=CC(=C1)Br)Br

InChI

InChI=1S/C13H15Br2NO4/c1-2-20-13(19)3-4-16(8-12(17)18)11-6-9(14)5-10(15)7-11/h5-7H,2-4,8H2,1H3,(H,17,18)/p-1