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

Systemtic Name: O3-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(1-adamantyl)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(1-adamantyl)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO7/c1-3-30-21(26)17-7-18(9-19(8-17)24(28)29)22(27)31-13(2)20(25)23-10-14-4-15(11-23)6-16(5-14)12-23/h7-9,13-16H,3-6,10-12H2,1-2H3