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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C)C

InChI

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