3-morpholin-4-yl-1-[2-nitro-3,4-bis(oxidanyl)phenyl]propan-1-one hydrochloride

Systemtic Name: 3-morpholin-4-yl-1-[2-nitro-3,4-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-morpholino-propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-(4-morpholinyl)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-morpholin-4-ylpropan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-morpholino-propan-1-one hydrochloride Formula: C13H17ClN2O6 MolecularWeight: 332.73688

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1COCCN1CCC(=O)C2=C(C(=C(C=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N2O6.ClH/c16-10(3-4-14-5-7-21-8-6-14)9-1-2-11(17)13(18)12(9)15(19)20;/h1-2,17-18H,3-8H2;1H