3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[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=C(C=CC(=C2)C(=O)O)Cl)Br)Br

Isomeric SMILES

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

InChI

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