O3-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-5-28-20(24)16-9-17(11-18(10-16)22(26)27)21(25)29-14(4)19(23)15-7-6-12(2)13(3)8-15/h6-11,14H,5H2,1-4H3