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

Systemtic Name: 2-(diethylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone hydrochloride Openeye Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride CAS Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride IUPAC Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone hydrochloride Traditional Name: 2-(diethylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone hydrochloride Formula: C12H17ClN2O5 MolecularWeight: 304.72678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5.ClH/c1-3-13(4-2)7-11(16)8-5-9(14(18)19)12(17)10(15)6-8;/h5-6,15,17H,3-4,7H2,1-2H3;1H