O1-methyl O3-[2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(2,3,4,6-tetramethylphenyl)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)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C)C)C

Isomeric SMILES

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

InChI

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