2-(3,3-dimethyl-2-oxidanylidene-butyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(3,3-dimethyl-2-oxobutyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2-keto-3,3-dimethyl-butyl)-4-nitro-isoindoline-1,3-quinone Formula: C14H14N2O5 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5/c1-14(2,3)10(17)7-15-12(18)8-5-4-6-9(16(20)21)11(8)13(15)19/h4-6H,7H2,1-3H3