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

Systemtic Name: 3-(dimethylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(dimethylamino)propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(dimethylamino)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(dimethylamino)propan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(dimethylamino)propan-1-one hydrochloride Formula: C11H15ClN2O5 MolecularWeight: 290.7002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5.ClH/c1-12(2)4-3-9(14)7-5-8(13(17)18)11(16)10(15)6-7;/h5-6,15-16H,3-4H2,1-2H3;1H