2-tert-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-tert-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-tert-butyl-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-tert-butyl-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-tert-butyl-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-tert-butyl-1,3-diketo-isoindoline-5-carboxylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-13(2,3)14-10(15)8-5-4-7(12(17)18)6-9(8)11(14)16/h4-6H,1-3H3,(H,17,18)