7-(2-hydroxyethyl)-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one

Systemtic Name: 7-(2-hydroxyethyl)-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one Openeye Name: 7-(2-hydroxyethyl)-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one CAS Name: 7-(2-hydroxyethyl)-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one IUPAC Name: 7-(2-hydroxyethyl)-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one Traditional Name: 7-(2-hydroxyethyl)-1,5-dinitro-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-4-one Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(C=CC(=O)C(C2CC(=O)C3=CC=CC=C3)(CN1CCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2(C=CC(=O)C(C2CC(=O)C3=CC=CC=C3)(CN1CCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c22-9-8-19-11-17(20(25)26)7-6-16(24)18(12-19,21(27)28)15(17)10-14(23)13-4-2-1-3-5-13/h1-7,15,22H,8-12H2