2,2,2-tris(chloranyl)ethyl (1R)-5-nitro-1-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (1R)-5-nitro-1-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-1H-isoquinoline-2-carboxylate Openeye Name: 2,2,2-trichloroethyl (1R)-1-(2-isopropoxy-2-oxo-ethyl)-5-nitro-1H-isoquinoline-2-carboxylate CAS Name: (1R)-5-nitro-1-(2-oxo-2-propan-2-yloxyethyl)-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (1R)-5-nitro-1-(2-oxo-2-propan-2-yloxyethyl)-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-1-(2-isopropoxy-2-keto-ethyl)-5-nitro-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C17H17Cl3N2O6 MolecularWeight: 451.68568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C2=C(C=CN1C(=O)OCC(Cl)(Cl)Cl)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C[C@@H]1C2=C(C=CN1C(=O)OCC(Cl)(Cl)Cl)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17Cl3N2O6/c1-10(2)28-15(23)8-14-11-4-3-5-13(22(25)26)12(11)6-7-21(14)16(24)27-9-17(18,19)20/h3-7,10,14H,8-9H2,1-2H3/t14-/m1/s1