[(2S)-1-oxidanylidene-1-propan-2-yloxy-propan-2-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-propan-2-yloxy-propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [(1S)-2-isopropoxy-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(1S)-2-isopropoxy-2-keto-1-methyl-ethyl] ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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