1-(4-morpholin-4-yl-3,5-dinitro-phenyl)ethanone

Systemtic Name: 1-(4-morpholin-4-yl-3,5-dinitro-phenyl)ethanone Openeye Name: 1-(4-morpholino-3,5-dinitro-phenyl)ethanone CAS Name: 1-[4-(4-morpholinyl)-3,5-dinitrophenyl]ethanone IUPAC Name: 1-(4-morpholin-4-yl-3,5-dinitrophenyl)ethanone Traditional Name: 1-(4-morpholino-3,5-dinitro-phenyl)ethanone Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c1-8(16)9-6-10(14(17)18)12(11(7-9)15(19)20)13-2-4-21-5-3-13/h6-7H,2-5H2,1H3