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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO7/c1-11-5-13(3)17(6-12(11)2)18(22)10-28-20(24)15-7-14(19(23)27-4)8-16(9-15)21(25)26/h5-9H,10H2,1-4H3