2-[2,3-bis(oxidanyl)propyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2,3-dihydroxypropyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2,3-dihydroxypropyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2,3-dihydroxypropyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-glyceryl-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C15H11N3O8 MolecularWeight: 361.26314

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O8/c19-6-10(20)5-16-14(21)11-3-8(17(23)24)1-7-2-9(18(25)26)4-12(13(7)11)15(16)22/h1-4,10,19-20H,5-6H2