4-oxidanylidene-4-[2-[2,4,6-tris(chloranyl)phenoxy]ethylamino]butanoate

Systemtic Name: 4-oxidanylidene-4-[2-[2,4,6-tris(chloranyl)phenoxy]ethylamino]butanoate Openeye Name: 4-oxo-4-[2-(2,4,6-trichlorophenoxy)ethylamino]butanoate CAS Name: 4-oxo-4-[2-(2,4,6-trichlorophenoxy)ethylamino]butanoate IUPAC Name: 4-oxo-4-[2-(2,4,6-trichlorophenoxy)ethylamino]butanoate Traditional Name: 4-keto-4-[2-(2,4,6-trichlorophenoxy)ethylamino]butyrate Formula: C12H11Cl3NO4- MolecularWeight: 339.57904

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)OCCNC(=O)CCC(=O)[O-])Cl)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)OCCNC(=O)CCC(=O)[O-])Cl)Cl

InChI

InChI=1S/C12H12Cl3NO4/c13-7-5-8(14)12(9(15)6-7)20-4-3-16-10(17)1-2-11(18)19/h5-6H,1-4H2,(H,16,17)(H,18,19)/p-1