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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 2-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 2-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 2-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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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=CC=CC=C4C(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H18N2O6/c24-18(22-17-6-2-1-5-15(17)21(27)28)12-7-8-14-16(10-12)20(26)23(19(14)25)11-13-4-3-9-29-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,22,24)(H,27,28)