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

Systemtic Name: 5-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-tert-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]isophthalic acid Formula: C21H18N2O7 MolecularWeight: 410.37682

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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)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)C(=O)O

InChI

InChI=1S/C21H18N2O7/c1-21(2,3)23-17(25)14-5-4-10(9-15(14)18(23)26)16(24)22-13-7-11(19(27)28)6-12(8-13)20(29)30/h4-9H,1-3H3,(H,22,24)(H,27,28)(H,29,30)