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

Systemtic Name: 3-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 3-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 3-[(2-tert-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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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=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-20(2,3)22-17(24)14-8-7-11(10-15(14)18(22)25)16(23)21-13-6-4-5-12(9-13)19(26)27/h4-10H,1-3H3,(H,21,23)(H,26,27)