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

Systemtic Name: O3-[2-(1-adamantyl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1-adamantyl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-adamantyl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(1-adamantyl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-adamantyl)-2-keto-ethyl] ester O1-methyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H23NO7/c1-28-19(24)15-5-16(7-17(6-15)22(26)27)20(25)29-11-18(23)21-8-12-2-13(9-21)4-14(3-12)10-21/h5-7,12-14H,2-4,8-11H2,1H3