4,5-dinitro-2-phenyl-isoindole-1,3-dione

Systemtic Name: 4,5-dinitro-2-phenyl-isoindole-1,3-dione Openeye Name: 4,5-dinitro-2-phenyl-isoindoline-1,3-dione CAS Name: 4,5-dinitro-2-phenylisoindole-1,3-dione IUPAC Name: 4,5-dinitro-2-phenylisoindole-1,3-dione Traditional Name: 4,5-dinitro-2-phenyl-isoindoline-1,3-quinone Formula: C14H7N3O6 MolecularWeight: 313.22188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7N3O6/c18-13-9-6-7-10(16(20)21)12(17(22)23)11(9)14(19)15(13)8-4-2-1-3-5-8/h1-7H