2-[[3-[2-(2-bromanylphenoxy)ethanoylamino]-4-chloranyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-[2-(2-bromanylphenoxy)ethanoylamino]-4-chloranyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[[2-(2-bromophenoxy)acetyl]amino]-4-chloro-benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[[2-(2-bromophenoxy)-1-oxoethyl]amino]-4-chlorophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[[2-(2-bromophenoxy)acetyl]amino]-4-chlorobenzoyl]amino]benzoic acid Traditional Name: 2-[[3-[[2-(2-bromophenoxy)acetyl]amino]-4-chloro-benzoyl]amino]benzoic acid Formula: C22H16BrClN2O5 MolecularWeight: 503.72984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3Br

InChI

InChI=1S/C22H16BrClN2O5/c23-15-6-2-4-8-19(15)31-12-20(27)25-18-11-13(9-10-16(18)24)21(28)26-17-7-3-1-5-14(17)22(29)30/h1-11H,12H2,(H,25,27)(H,26,28)(H,29,30)