2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]terephthalic acid Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Br

InChI

InChI=1S/C17H14BrNO6/c1-9-2-5-14(12(18)6-9)25-8-15(20)19-13-7-10(16(21)22)3-4-11(13)17(23)24/h2-7H,8H2,1H3,(H,19,20)(H,21,22)(H,23,24)