4-[[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(4-bromophenyl)-2,1-benzoxazole-5-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-bromophenyl)-2,1-benzoxazole-5-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-(4-bromophenyl)anthranil-5-carbonyl]amino]benzoic acid Formula: C21H13BrN2O4 MolecularWeight: 437.24292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C(=O)NC4=CC=C(C=C4)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C(=O)NC4=CC=C(C=C4)C(=O)O)Br

InChI

InChI=1S/C21H13BrN2O4/c22-15-6-1-12(2-7-15)19-17-11-14(5-10-18(17)24-28-19)20(25)23-16-8-3-13(4-9-16)21(26)27/h1-11H,(H,23,25)(H,26,27)