2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide; 3-morpholin-4-ylpropanoic acid; hydrate; hydrochloride

Systemtic Name: 2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide; 3-morpholin-4-ylpropanoic acid; hydrate; hydrochloride Openeye Name: 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide; 3-morpholinopropanoic acid; hydrate; hydrochloride CAS Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide; 3-(4-morpholinyl)propanoic acid; hydrate; hydrochloride IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide; 3-morpholin-4-ylpropanoic acid; hydrate; hydrochloride Traditional Name: 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]acetamide; 3-morpholinopropionic acid; hydrate; hydrochloride Formula: C18H28Cl3N3O9 MolecularWeight: 536.78862

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(=O)O.C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-].O.Cl

Isomeric SMILES

C1COCCN1CCC(=O)O.C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C11H12Cl2N2O5.C7H13NO3.ClH.H2O/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20;9-7(10)1-2-8-3-5-11-6-4-8;;/h1-4,8-10,16-17H,5H2,(H,14,18);1-6H2,(H,9,10);1H;1H2/t8-,9-;;;/m1.../s1