O3-[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO7/c1-11-5-6-12(2)17(7-11)18(22)13(3)28-20(24)15-8-14(19(23)27-4)9-16(10-15)21(25)26/h5-10,13H,1-4H3/t13-/m0/s1