2-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NCCO)[N+](=O)[O-])CCO

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NCCO)[N+](=O)[O-])CCO

InChI

InChI=1S/C16H15N3O6/c20-6-4-17-14-9-2-1-3-10-13(9)11(8-12(14)19(24)25)16(23)18(5-7-21)15(10)22/h1-3,8,17,20-21H,4-7H2