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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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