5-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-2,4-bis(chloranyl)benzoate

Systemtic Name: 5-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-2,4-bis(chloranyl)benzoate Openeye Name: 5-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-2,4-dichloro-benzoate CAS Name: 5-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-2,4-dichlorobenzoate IUPAC Name: 5-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-2,4-dichlorobenzoate Traditional Name: 5-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-2,4-dichloro-benzoate Formula: C17H13BrCl2NO4- MolecularWeight: 446.09942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=C(C(=C2)C(=O)[O-])Cl)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=C(C(=C2)C(=O)[O-])Cl)Cl)C

InChI

InChI=1S/C17H14BrCl2NO4/c1-8-3-9(2)16(11(18)4-8)25-7-15(22)21-14-5-10(17(23)24)12(19)6-13(14)20/h3-6H,7H2,1-2H3,(H,21,22)(H,23,24)/p-1