2-morpholin-4-yl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-morpholin-4-yl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-morpholino-ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-morpholinyl)ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-morpholin-4-ylethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-morpholino-ethanone Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c15-10-6-8(5-9(12(10)17)14(18)19)11(16)7-13-1-3-20-4-2-13/h5-6,15,17H,1-4,7H2