5-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-2-hydroxy-3-methyl-benzoic acid Formula: C17H15Br2NO5 MolecularWeight: 473.1127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Br2NO5/c1-8-4-11(6-12(15(8)22)17(23)24)20-14(21)7-25-16-9(2)3-10(18)5-13(16)19/h3-6,22H,7H2,1-2H3,(H,20,21)(H,23,24)