2-[(3,5-dinitro-2-oxidanyl-phenyl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(3,5-dinitro-2-oxidanyl-phenyl)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-hydroxy-3,5-dinitro-phenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-hydroxy-3,5-dinitrophenyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-hydroxy-3,5-dinitrophenyl)methyl]isoindole-1,3-dione Traditional Name: 2-(2-hydroxy-3,5-dinitro-benzyl)isoindoline-1,3-quinone Formula: C15H9N3O7 MolecularWeight: 343.24786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O7/c19-13-8(5-9(17(22)23)6-12(13)18(24)25)7-16-14(20)10-3-1-2-4-11(10)15(16)21/h1-6,19H,7H2