2-[2-(2-hydroxyethylamino)ethyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione; sulfuric acid

Systemtic Name: 2-[2-(2-hydroxyethylamino)ethyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione; sulfuric acid Openeye Name: 2-[2-(2-hydroxyethylamino)ethyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione; sulfuric acid CAS Name: 2-[2-(2-hydroxyethylamino)ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione; sulfuric acid IUPAC Name: 2-[2-(2-hydroxyethylamino)ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione; sulfuric acid Traditional Name: 2-[2-(2-hydroxyethylamino)ethyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone; sulfuric acid Formula: C16H16N4O11S MolecularWeight: 472.38344

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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)CCNCCO)[N+](=O)[O-].OS(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCNCCO)[N+](=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C16H14N4O7.H2O4S/c21-4-2-17-1-3-18-15(22)12-7-10(19(24)25)5-9-6-11(20(26)27)8-13(14(9)12)16(18)23;1-5(2,3)4/h5-8,17,21H,1-4H2;(H2,1,2,3,4)