4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]benzoic acid CAS Name: 2-chloro-4-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]benzoic acid Formula: C16H12Br2ClNO4 MolecularWeight: 477.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl)Br)Br

InChI

InChI=1S/C16H12Br2ClNO4/c1-8-4-9(17)5-12(18)15(8)24-7-14(21)20-10-2-3-11(16(22)23)13(19)6-10/h2-6H,7H2,1H3,(H,20,21)(H,22,23)