2-[(3-ethoxy-3-oxidanylidene-propyl)-[3,4,5-tris(bromanyl)phenyl]amino]ethanoate

Systemtic Name: 2-[(3-ethoxy-3-oxidanylidene-propyl)-[3,4,5-tris(bromanyl)phenyl]amino]ethanoate Openeye Name: 2-(3,4,5-tribromo-N-(3-ethoxy-3-oxo-propyl)anilino)acetate CAS Name: 2-(3,4,5-tribromo-N-(3-ethoxy-3-oxopropyl)anilino)acetate IUPAC Name: 2-(3,4,5-tribromo-N-(3-ethoxy-3-oxopropyl)anilino)acetate Traditional Name: 2-(3,4,5-tribromo-N-(3-ethoxy-3-keto-propyl)anilino)acetate Formula: C13H13Br3NO4- MolecularWeight: 486.95862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Br3NO4/c1-2-21-12(20)3-4-17(7-11(18)19)8-5-9(14)13(16)10(15)6-8/h5-6H,2-4,7H2,1H3,(H,18,19)/p-1