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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)[N+](=O)[O-]

InChI

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