[(1R,2R)-2-(dimethylamino)-1-(4-nitrophenyl)-3-oxidanyl-propyl] ethanoate

Systemtic Name: [(1R,2R)-2-(dimethylamino)-1-(4-nitrophenyl)-3-oxidanyl-propyl] ethanoate Openeye Name: [(1R,2R)-2-(dimethylamino)-3-hydroxy-1-(4-nitrophenyl)propyl] acetate CAS Name: acetic acid [(1R,2R)-2-(dimethylamino)-3-hydroxy-1-(4-nitrophenyl)propyl] ester IUPAC Name: [(1R,2R)-2-(dimethylamino)-3-hydroxy-1-(4-nitrophenyl)propyl] acetate Traditional Name: acetic acid [(1R,2R)-2-(dimethylamino)-3-hydroxy-1-(4-nitrophenyl)propyl] ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)N(C)C

Isomeric SMILES

CC(=O)O[C@H](C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CO)N(C)C

InChI

InChI=1S/C13H18N2O5/c1-9(17)20-13(12(8-16)14(2)3)10-4-6-11(7-5-10)15(18)19/h4-7,12-13,16H,8H2,1-3H3/t12-,13-/m1/s1