2-methyl-4,6-dinitro-4-oxidanyl-3aH-isoindole-1,3-dione

Systemtic Name: 2-methyl-4,6-dinitro-4-oxidanyl-3aH-isoindole-1,3-dione Openeye Name: 4-hydroxy-2-methyl-4,6-dinitro-3aH-isoindole-1,3-dione CAS Name: 4-hydroxy-2-methyl-4,6-dinitro-3aH-isoindole-1,3-dione IUPAC Name: 4-hydroxy-2-methyl-4,6-dinitro-3aH-isoindole-1,3-dione Traditional Name: 4-hydroxy-2-methyl-4,6-dinitro-3aH-isoindole-1,3-quinone Formula: C9H7N3O7 MolecularWeight: 269.16778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(=CC(=CC2([N+](=O)[O-])O)[N+](=O)[O-])C1=O

Isomeric SMILES

CN1C(=O)C2C(=CC(=CC2([N+](=O)[O-])O)[N+](=O)[O-])C1=O

InChI

InChI=1S/C9H7N3O7/c1-10-7(13)5-2-4(11(16)17)3-9(15,12(18)19)6(5)8(10)14/h2-3,6,15H,1H3