2-tert-butyl-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-tert-butyl-5-nitro-isoindole-1,3-dione Openeye Name: 2-tert-butyl-5-nitro-isoindoline-1,3-dione CAS Name: 2-tert-butyl-5-nitroisoindole-1,3-dione IUPAC Name: 2-tert-butyl-5-nitroisoindole-1,3-dione Traditional Name: 2-tert-butyl-5-nitro-isoindoline-1,3-quinone Formula: C12H12N2O4 MolecularWeight: 248.23468

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)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c1-12(2,3)13-10(15)8-5-4-7(14(17)18)6-9(8)11(13)16/h4-6H,1-3H3