[(2S,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 2-morpholin-4-ylethanoate

Systemtic Name: [(2S,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 2-morpholin-4-ylethanoate Openeye Name: [(2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-morpholinoacetate CAS Name: 2-(4-morpholinyl)acetic acid [(2S,3R)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester IUPAC Name: [(2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-morpholin-4-ylacetate Traditional Name: 2-morpholinoacetic acid [(2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester Formula: C17H21Cl2N3O7 MolecularWeight: 450.27054

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

Isomeric SMILES

C1COCCN1CC(=O)OC[C@@H]([C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C17H21Cl2N3O7/c18-16(19)17(25)20-13(10-29-14(23)9-21-5-7-28-8-6-21)15(24)11-1-3-12(4-2-11)22(26)27/h1-4,13,15-16,24H,5-10H2,(H,20,25)/t13-,15+/m0/s1