2-tert-butyl-4,7-dinitro-benzo[e]isoindole-1,3-dione

Systemtic Name: 2-tert-butyl-4,7-dinitro-benzo[e]isoindole-1,3-dione Openeye Name: 2-tert-butyl-4,7-dinitro-benzo[e]isoindole-1,3-dione CAS Name: 2-tert-butyl-4,7-dinitrobenzo[e]isoindole-1,3-dione IUPAC Name: 2-tert-butyl-4,7-dinitrobenzo[e]isoindole-1,3-dione Traditional Name: 2-tert-butyl-4,7-dinitro-benz[e]isoindole-1,3-quinone Formula: C16H13N3O6 MolecularWeight: 343.29092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C3C=CC(=CC3=CC(=C2C1=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C3C=CC(=CC3=CC(=C2C1=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6/c1-16(2,3)17-14(20)12-10-5-4-9(18(22)23)6-8(10)7-11(19(24)25)13(12)15(17)21/h4-7H,1-3H3