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

Systemtic Name: 3-morpholin-4-yl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-phenyl-propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-morpholino-3-phenyl-propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-morpholinyl)-3-phenyl-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-morpholin-4-yl-3-phenylpropan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-morpholino-3-phenyl-propan-1-one hydrochloride Formula: C19H21ClN2O6 MolecularWeight: 408.83284

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=C3.Cl

Isomeric SMILES

C1COCCN1C(CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC=C3.Cl

InChI

InChI=1S/C19H20N2O6.ClH/c22-17(14-10-16(21(25)26)19(24)18(23)11-14)12-15(13-4-2-1-3-5-13)20-6-8-27-9-7-20;/h1-5,10-11,15,23-24H,6-9,12H2;1H