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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C21H17BrN2O6 MolecularWeight: 473.27348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H17BrN2O6/c22-12-4-6-17(16(9-12)21(28)29)23-18(25)11-3-5-14-15(8-11)20(27)24(19(14)26)10-13-2-1-7-30-13/h3-6,8-9,13H,1-2,7,10H2,(H,23,25)(H,28,29)