2-[2-[[3,4-bis(bromanyl)phenyl]-methyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[[3,4-bis(bromanyl)phenyl]-methyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(3,4-dibromo-N-methyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(3,4-dibromo-N-methylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3,4-dibromo-N-methylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3,4-dibromo-N-methyl-anilino)acetyl]amino]benzoic acid Formula: C16H14Br2N2O3 MolecularWeight: 442.10196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC(=C(C=C2)Br)Br

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC(=C(C=C2)Br)Br

InChI

InChI=1S/C16H14Br2N2O3/c1-20(10-6-7-12(17)13(18)8-10)9-15(21)19-14-5-3-2-4-11(14)16(22)23/h2-8H,9H2,1H3,(H,19,21)(H,22,23)