5-bromanyl-2-[[3-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[3-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[3-[(3-methylbenzoyl)amino]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[3-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[3-[(3-methylbenzoyl)amino]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[3-(m-toluoylamino)benzoyl]amino]benzoic acid Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H17BrN2O4/c1-13-4-2-5-14(10-13)20(26)24-17-7-3-6-15(11-17)21(27)25-19-9-8-16(23)12-18(19)22(28)29/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)