5-bromanyl-2-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 5-bromo-2-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 5-bromo-2-[(2-tert-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H17BrN2O5/c1-20(2,3)23-17(25)12-6-4-10(8-13(12)18(23)26)16(24)22-15-7-5-11(21)9-14(15)19(27)28/h4-9H,1-3H3,(H,22,24)(H,27,28)