2-[4,5-dinitro-9,10-bis(oxidanylidene)anthracen-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[4,5-dinitro-9,10-bis(oxidanylidene)anthracen-1-yl]isoindole-1,3-dione Openeye Name: 2-(4,5-dinitro-9,10-dioxo-1-anthryl)isoindoline-1,3-dione CAS Name: 2-(4,5-dinitro-9,10-dioxo-1-anthracenyl)isoindole-1,3-dione IUPAC Name: 2-(4,5-dinitro-9,10-dioxoanthracen-1-yl)isoindole-1,3-dione Traditional Name: 2-(9,10-diketo-4,5-dinitro-1-anthryl)isoindoline-1,3-quinone Formula: C22H9N3O8 MolecularWeight: 443.32216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C(=O)C5=C(C4=O)C=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C(=O)C5=C(C4=O)C=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H9N3O8/c26-19-12-6-3-7-14(24(30)31)16(12)20(27)18-15(25(32)33)9-8-13(17(18)19)23-21(28)10-4-1-2-5-11(10)22(23)29/h1-9H