3-[[4-[(2-bromanylphenoxy)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: 3-[[4-[(2-bromanylphenoxy)methyl]phenyl]carbonylamino]benzoate Openeye Name: 3-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[(2-bromophenoxy)methyl]phenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]benzoate Formula: C21H15BrNO4- MolecularWeight: 425.2521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br

InChI

InChI=1S/C21H16BrNO4/c22-18-6-1-2-7-19(18)27-13-14-8-10-15(11-9-14)20(24)23-17-5-3-4-16(12-17)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)/p-1