2-(2-hydroxyethyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-hydroxyethyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-hydroxyethyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-hydroxyethyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-hydroxyethyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-hydroxyethyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C14H9N3O7 MolecularWeight: 331.23716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O7/c18-6-5-15-13(19)7-1-3-9(16(21)22)12-10(17(23)24)4-2-8(11(7)12)14(15)20/h1-4,18H,5-6H2