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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-isopropylphenyl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-keto-2-p-cumenyl-ethyl) ester O1-methyl ester Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO7/c1-12(2)13-4-6-14(7-5-13)18(22)11-28-20(24)16-8-15(19(23)27-3)9-17(10-16)21(25)26/h4-10,12H,11H2,1-3H3