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

Systemtic Name: 2-methyl-3-[2-[2,4,6-tris(bromanyl)phenoxy]ethanoylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-(2,4,6-tribromophenoxy)ethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoic acid Traditional Name: 2-methyl-3-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoic acid Formula: C16H12Br3NO4 MolecularWeight: 521.98278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)COC2=C(C=C(C=C2Br)Br)Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)COC2=C(C=C(C=C2Br)Br)Br)C(=O)O

InChI

InChI=1S/C16H12Br3NO4/c1-8-10(16(22)23)3-2-4-13(8)20-14(21)7-24-15-11(18)5-9(17)6-12(15)19/h2-6H,7H2,1H3,(H,20,21)(H,22,23)