2-[[4-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[(5-bromo-2-methoxy-benzoyl)amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[(5-bromo-2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[(5-bromo-2-methoxy-benzoyl)amino]benzoyl]amino]benzoic acid Formula: C22H17BrN2O5 MolecularWeight: 469.28478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H17BrN2O5/c1-30-19-11-8-14(23)12-17(19)21(27)24-15-9-6-13(7-10-15)20(26)25-18-5-3-2-4-16(18)22(28)29/h2-12H,1H3,(H,24,27)(H,25,26)(H,28,29)