[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [(2S)-1-methoxy-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [(1S)-2-methoxy-1-methyl-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [(2S)-1-methoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-methoxy-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [(1S)-2-keto-2-methoxy-1-methyl-ethyl] ester Formula: C13H15NO8 MolecularWeight: 313.2601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO8/c1-7(12(15)21-4)22-13(16)8-5-10(19-2)11(20-3)6-9(8)14(17)18/h5-7H,1-4H3/t7-/m0/s1