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

Systemtic Name: 5-bromanyl-2-[[2-(2-methylpropyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(2-isobutyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 5-bromo-2-[[[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[(2-isobutyl-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)CN1C(=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)CN1C(=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/c1-10(2)9-23-18(25)13-5-3-11(7-14(13)19(23)26)17(24)22-16-6-4-12(21)8-15(16)20(27)28/h3-8,10H,9H2,1-2H3,(H,22,24)(H,27,28)