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

Systemtic Name: 2-[2-[(4-bromanyl-3-chloranyl-phenyl)-methyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-bromo-3-chloro-N-methyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-bromo-3-chloro-N-methylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-bromo-3-chloro-N-methylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-bromo-3-chloro-N-methyl-anilino)acetyl]amino]benzoic acid Formula: C16H14BrClN2O3 MolecularWeight: 397.65096

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN2O3/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)