[(2S)-1-oxidanylidene-1-propan-2-yloxy-propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-propan-2-yloxy-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-2-isopropoxy-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-isopropoxy-2-keto-1-methyl-ethyl] ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO6/c1-7(2)20-12(16)8(3)21-13(17)10-6-9(15(18)19)4-5-11(10)14/h4-8H,1-3H3/t8-/m0/s1