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

Systemtic Name: 2-(2-hydroxyethyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-hydroxyethyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-hydroxyethyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-hydroxyethyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-hydroxyethyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C14H9N3O7 MolecularWeight: 331.23716

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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)CCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O7/c18-2-1-15-13(19)10-5-8(16(21)22)3-7-4-9(17(23)24)6-11(12(7)10)14(15)20/h3-6,18H,1-2H2