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

Systemtic Name: 2-(dimethylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(dimethylamino)ethanone hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(dimethylamino)ethanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(dimethylamino)ethanone hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(dimethylamino)ethanone hydrochloride Formula: C10H13ClN2O5 MolecularWeight: 276.67362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5.ClH/c1-11(2)5-9(14)6-3-7(12(16)17)10(15)8(13)4-6;/h3-4,13,15H,5H2,1-2H3;1H