O3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(3-acetyl-2,4,6-trimethyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(3-acetyl-2,4,6-trimethylphenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(3-acetyl-2,4,6-trimethylphenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(3-acetyl-2,4,6-trimethyl-benzyl) 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)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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