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

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(4-isopropylphenyl)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(2-keto-2-p-cumenyl-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=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-4-28-20(24)16-9-17(11-18(10-16)22(26)27)21(25)29-12-19(23)15-7-5-14(6-8-15)13(2)3/h5-11,13H,4,12H2,1-3H3