O3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(4-tert-butyl-2,6-dimethylphenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(4-tert-butyl-2,6-dimethylphenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(4-tert-butyl-2,6-dimethyl-benzyl) ester O1-methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C22H25NO6/c1-13-7-17(22(3,4)5)8-14(2)19(13)12-29-21(25)16-9-15(20(24)28-6)10-18(11-16)23(26)27/h7-11H,12H2,1-6H3