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

Systemtic Name: 2-tert-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-tert-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-tert-butyl-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-tert-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-tert-butyl-1,3-diketo-isoindoline-5-carboxylate Formula: C13H12NO4- MolecularWeight: 246.23868

Click to see the large picture

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)/p-1