2-(diethylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride

Systemtic Name: 2-(diethylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride CAS Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one hydrochloride Traditional Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one hydrochloride Formula: C13H19ClN2O5 MolecularWeight: 318.75336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)C(C)C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H18N2O5.ClH/c1-4-14(5-2)8(3)12(17)9-6-10(15(19)20)13(18)11(16)7-9;/h6-8,16,18H,4-5H2,1-3H3;1H